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2-{[4-(butylcarbamoyl)phenyl]carbamoyl}benzoic acid

2-{[4-(butylcarbamoyl)phenyl]carbamoyl}benzoic acid

CAS: 940210-57-1

Formula: C19H20N2O4

SMILES: CCCCNC(=O)C1=CC=C(NC(=O)C2=C(C=CC=C2)C(O)=O)C=C1

IUPAC: 2-{[4-(butylcarbamoyl)phenyl]carbamoyl}benzoic acid

InChI: InChI=1S/C19H20N2O4/c1-2-3-12-20-17(22)13-8-10-14(11-9-13)21-18(23)15-6-4-5-7-16(15)19(24)25/h4-11H,2-3,12H2,1H3,(H,20,22)(H,21,23)(H,24,25)

Composition: C (67.05%), H (5.92%), N (8.23%), O (18.80%)

Molar Mass: 340.379

Atom Count: 45

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 340.142307132
Formal Charge 0
FSP3 0.21
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey DHQKECVYJOEHGR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.7
Topological Polar Surface Area 95.5
Polarizability 35.48
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 940210-57-1 $141.17-$217.11$141.17$217.11
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