3-[(4-chlorophenyl)amino]-1-(3-nitrophenyl)propan-1-one

3-[(4-chlorophenyl)amino]-1-(3-nitrophenyl)propan-1-one

CAS: 882748-35-8

Formula: C15H13ClN2O3

SMILES: [O-][N+](=O)C1=CC=CC(=C1)C(=O)CCNC1=CC=C(Cl)C=C1

IUPAC: 3-[(4-chlorophenyl)amino]-1-(3-nitrophenyl)propan-1-one

InChI: InChI=1S/C15H13ClN2O3/c16-12-4-6-13(7-5-12)17-9-8-15(19)11-2-1-3-14(10-11)18(20)21/h1-7,10,17H,8-9H2

Composition: C (59.12%), H (4.30%), Cl (11.63%), N (9.19%), O (15.75%)

Molar Mass: 304.73

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	304.06147
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FREUSOCSLXNLCH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.98
Topological Polar Surface Area	72.24
Polarizability	30.38
Ring Count	2
Rotatable Bond Count	6

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