2-[(1-phenylethyl)carbamoyl]benzoic acid

2-[(1-phenylethyl)carbamoyl]benzoic acid

CAS: 21752-36-3

Formula: C16H15NO3

SMILES: CC(NC(=O)C1=CC=CC=C1C(O)=O)C1=CC=CC=C1

IUPAC: 2-[(1-phenylethyl)carbamoyl]benzoic acid

InChI: InChI=1/C16H15NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)

Composition: C (71.36%), H (5.61%), N (5.20%), O (17.82%)

Molar Mass: 269.3

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	269.105193347
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VCFKXWGKKDZMPO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.32
Topological Polar Surface Area	66.4
Polarizability	28.76
Ring Count	2
Rotatable Bond Count	4

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