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2-chloro-N-{1-[(2,6-dimethylphenyl)carbamoyl]-4-methylcyclohexyl}-N-(furan-2-ylmethyl)benzamide

2-chloro-N-{1-[(2,6-dimethylphenyl)carbamoyl]-4-methylcyclohexyl}-N-(furan-2-ylmethyl)benzamide

Formula: C28H31ClN2O3

SMILES: CC1CCC(CC1)(N(CC1=CC=CO1)C(=O)C1=CC=CC=C1Cl)C(=O)NC1=C(C)C=CC=C1C

IUPAC: 2-chloro-N-{1-[(2,6-dimethylphenyl)carbamoyl]-4-methylcyclohexyl}-N-[(furan-2-yl)methyl]benzamide

InChI: InChI=1S/C28H31ClN2O3/c1-19-13-15-28(16-14-19,27(33)30-25-20(2)8-6-9-21(25)3)31(18-22-10-7-17-34-22)26(32)23-11-4-5-12-24(23)29/h4-12,17,19H,13-16,18H2,1-3H3,(H,30,33)

Composition: C (70.21%), H (6.52%), Cl (7.40%), N (5.85%), O (10.02%)

Molar Mass: 479.02

Atom Count: 65

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 478.2023206
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey OQGLVARTHOWLBP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 136.78
Topological Polar Surface Area 62.55
Polarizability 51.66
Ring Count 4
Rotatable Bond Count 6

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H31ClN2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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