2-{[3-(butylcarbamoyl)phenyl]carbamoyl}benzoic acid

2-{[3-(butylcarbamoyl)phenyl]carbamoyl}benzoic acid

CAS: 940488-50-6

Formula: C19H20N2O4

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

IUPAC: 2-{[3-(butylcarbamoyl)phenyl]carbamoyl}benzoic acid

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