2-[(3,4-dichlorophenyl)formamido]-3-phenylpropyl 3-chlorobenzoate

2-[(3,4-dichlorophenyl)formamido]-3-phenylpropyl 3-chlorobenzoate

CAS: 338963-32-9

Formula: C23H18Cl3NO3

SMILES: ClC1=CC=CC(=C1)C(=O)OCC(CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=C(Cl)C=C1

IUPAC: 2-[(3,4-dichlorophenyl)formamido]-3-phenylpropyl 3-chlorobenzoate

InChI: InChI=1/C23H18Cl3NO3/c24-18-8-4-7-17(12-18)23(29)30-14-19(11-15-5-2-1-3-6-15)27-22(28)16-9-10-20(25)21(26)13-16/h1-10,12-13,19H,11,14H2,(H,27,28)

Composition: C (59.70%), H (3.92%), Cl (22.98%), N (3.03%), O (10.37%)

Molar Mass: 462.75

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	461.0352265
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CQLALXQWMJZMAC-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	119.6
Topological Polar Surface Area	55.4
Polarizability	46.12
Ring Count	3
Rotatable Bond Count	8

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