2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide

C16H16Cl2N2O — CID 60996840

IUPAC2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide
SMILESCCC(Nc1cccc(Cl)c1)(C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-2-16(15(19)21,11-6-8-12(17)9-7-11)20-14-5-3-4-13(18)10-14/h3-10,20H,2H2,1H3,(H2,19,21)
InChIKeyKJUZPDOYMMWLJE-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.20
Rot. Bonds5

About 2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide

2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide (PubChem CID 60996840) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide
PubChem CID60996840
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide
SMILESCCC(Nc1cccc(Cl)c1)(C(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-2-16(15(19)21,11-6-8-12(17)9-7-11)20-14-5-3-4-13(18)10-14/h3-10,20H,2H2,1H3,(H2,19,21)
InChIKeyKJUZPDOYMMWLJE-UHFFFAOYSA-N
XLogP4.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-(4-chlorophenyl)butanamide
CID 60992126
2-(4-chloroanilino)-2-phenylbutanamide
CID 60991020
2-(3-chloroanilino)-2-(4-methylphenyl)butanoic acid
CID 60991671
2-(3-chloroanilino)-2-(4-chlorophenyl)propanamide
CID 60996711
2-anilino-2-(4-methylphenyl)butanamide
CID 60996158
2-(3-chlorophenyl)-2-(ethylamino)butanamide
CID 60786890
2-(3-chloroanilino)-2,4-dimethylpentanamide
CID 54892158
2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
CID 79809226
methyl 2-(3-chloroanilino)-2-methylbutanoate
CID 60990615
2-(3-chlorophenyl)-2-(methylamino)butanoic acid
CID 43753632
2-(3-methylanilino)-2-(4-methylphenyl)butanoic acid
CID 60993922
2-(3-chlorophenyl)-2-(cycloheptylamino)butanamide
CID 60998078

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide?
The IUPAC name of 2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide (CID 60996840) is 2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide.
What is the SMILES notation for 2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide?
The canonical SMILES for 2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide is CCC(Nc1cccc(Cl)c1)(C(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide?
The InChIKey is KJUZPDOYMMWLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-2-16(15(19)21,11-6-8-12(17)9-7-11)20-14-5-3-4-13(18)10-14/h3-10,20H,2H2,1H3,(H2,19,21).
What are the key properties of 2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide?
2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide has a molecular weight of 323.22 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide is sourced from PubChem (CID 60996840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).