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N-(3-chloro-2-methylphenyl)-4-[(2E)-3-(furan-2-yl)prop-2-enamido]benzamide

N-(3-chloro-2-methylphenyl)-4-[(2E)-3-(furan-2-yl)prop-2-enamido]benzamide

Formula: C21H17ClN2O3

SMILES: CC1=C(Cl)C=CC=C1NC(=O)C1=CC=C(NC(=O)C=CC2=CC=CO2)C=C1

IUPAC: N-(3-chloro-2-methylphenyl)-4-[(2E)-3-(furan-2-yl)prop-2-enamido]benzamide

InChI: InChI=1S/C21H17ClN2O3/c1-14-18(22)5-2-6-19(14)24-21(26)15-7-9-16(10-8-15)23-20(25)12-11-17-4-3-13-27-17/h2-13H,1H3,(H,23,25)(H,24,26)/b12-11+

Composition: C (66.23%), H (4.50%), Cl (9.31%), N (7.36%), O (12.60%)

Molar Mass: 380.83

Atom Count: 44

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 380.0927701
Formal Charge 0
FSP3 0.05
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey NRMLWCVEQREPMJ-VAWYXSNFSA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.11
Topological Polar Surface Area 71.34
Polarizability 39.51
Ring Count 3
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H17ClN2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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