N-(3-amino-4-chlorophenyl)-2-(3-methylphenoxy)butanamide

N-(3-amino-4-chlorophenyl)-2-(3-methylphenoxy)butanamide

CAS: 1020054-95-8

Formula: C17H19ClN2O2

SMILES: CCC(OC1=CC(C)=CC=C1)C(=O)NC1=CC(N)=C(Cl)C=C1

IUPAC: N-(3-amino-4-chlorophenyl)-2-(3-methylphenoxy)butanamide

InChI: InChI=1/C17H19ClN2O2/c1-3-16(22-13-6-4-5-11(2)9-13)17(21)20-12-7-8-14(18)15(19)10-12/h4-10,16H,3,19H2,1-2H3,(H,20,21)

Composition: C (64.05%), H (6.01%), Cl (11.12%), N (8.79%), O (10.04%)

Molar Mass: 318.8

Atom Count: 41

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	318.1135056
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KCOBPZBRFFEHPR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.45
Topological Polar Surface Area	64.35
Polarizability	33.93
Ring Count	2
Rotatable Bond Count	5

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