3-chloro-N-(2,4,6-trimethylphenyl)propanamide

3-chloro-N-(2,4,6-trimethylphenyl)propanamide

CAS: 100141-43-3

Formula: C12H16ClNO

SMILES: CC1=CC(C)=C(NC(=O)CCCl)C(C)=C1

IUPAC: 3-chloro-N-(2,4,6-trimethylphenyl)propanamide

InChI: InChI=1S/C12H16ClNO/c1-8-6-9(2)12(10(3)7-8)14-11(15)4-5-13/h6-7H,4-5H2,1-3H3,(H,14,15)

Composition: C (63.86%), H (7.15%), Cl (15.71%), N (6.21%), O (7.09%)

Molar Mass: 225.72

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.0920418
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	QQSDUFSTDSMUBD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.5
Topological Polar Surface Area	29.1
Polarizability	24.16
Ring Count	1
Rotatable Bond Count	3

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