N-(3-amino-4-chlorophenyl)propanamide

N-(3-amino-4-chlorophenyl)propanamide

CAS: 213831-01-7

Formula: C9H11ClN2O

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

IUPAC: N-(3-amino-4-chlorophenyl)propanamide

InChI: InChI=1S/C9H11ClN2O/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3,(H,12,13)

Composition: C (54.42%), H (5.58%), Cl (17.85%), N (14.10%), O (8.05%)

Molar Mass: 198.65

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.0559907
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XTYFFONNCYYVOA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.05
Topological Polar Surface Area	55.12
Polarizability	20.07
Ring Count	1
Rotatable Bond Count	2

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