methyl 2-[(3,5-dichlorophenyl)formamido]-3,3-dimethylbutanoate

methyl 2-[(3,5-dichlorophenyl)formamido]-3,3-dimethylbutanoate

CAS: 1214081-51-2

Formula: C14H17Cl2NO3

SMILES: COC(=O)C(NC(=O)C1=CC(Cl)=CC(Cl)=C1)C(C)(C)C

IUPAC: methyl 2-[(3,5-dichlorophenyl)formamido]-3,3-dimethylbutanoate

InChI: InChI=1/C14H17Cl2NO3/c1-14(2,3)11(13(19)20-4)17-12(18)8-5-9(15)7-10(16)6-8/h5-7,11H,1-4H3,(H,17,18)

Composition: C (52.85%), H (5.39%), Cl (22.28%), N (4.40%), O (15.08%)

Molar Mass: 318.19

Atom Count: 37

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	317.0585488
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QPCUCFVGBAHPGL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.38
Topological Polar Surface Area	55.4
Polarizability	30.65
Ring Count	1
Rotatable Bond Count	5

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