2-(4-chloroanilino)-2-phenylbutanamide

C16H17ClN2O — CID 60991020

IUPAC2-(4-chloroanilino)-2-phenylbutanamide
SMILESCCC(Nc1ccc(Cl)cc1)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-2-16(15(18)20,12-6-4-3-5-7-12)19-14-10-8-13(17)9-11-14/h3-11,19H,2H2,1H3,(H2,18,20)
InChIKeyLNGJVDZCOCELFC-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.54
Rot. Bonds5

About 2-(4-chloroanilino)-2-phenylbutanamide

2-(4-chloroanilino)-2-phenylbutanamide (PubChem CID 60991020) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-phenylbutanamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-phenylbutanamide
PubChem CID60991020
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-(4-chloroanilino)-2-phenylbutanamide
SMILESCCC(Nc1ccc(Cl)cc1)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-2-16(15(18)20,12-6-4-3-5-7-12)19-14-10-8-13(17)9-11-14/h3-11,19H,2H2,1H3,(H2,18,20)
InChIKeyLNGJVDZCOCELFC-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloroanilino)-2-(4-chlorophenyl)butanamide
CID 60992126
2-(3-chloroanilino)-2-(4-chlorophenyl)butanamide
CID 60996840
2-anilino-2-(4-methylphenyl)butanamide
CID 60996158
2-(4-fluoroanilino)-2-(4-fluorophenyl)butanamide
CID 60996994
2-(4-bromophenyl)-2-(2-chloroanilino)butanamide
CID 60996452
2-(3-chlorophenyl)-2-(ethylamino)butanamide
CID 60786890
(2R)-2-[[5-(5-chloro-2-fluorophenyl)-3-pyridinyl]amino]-2-phenylhexadecanamide
CID 118116566
2-(4-chloroanilino)-2-(3-fluorophenyl)propanamide
CID 60991447
2-(3-bromophenyl)-2-(4-chloroanilino)propanamide
CID 60992656
2-(2-azidoethylamino)-2-phenylbutanamide
CID 66191038
2-(ethylamino)-2,3-diphenylpropanamide
CID 60787050
2-(3-chloroanilino)-2-(4-methylphenyl)butanoic acid
CID 60991671

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-phenylbutanamide?
The IUPAC name of 2-(4-chloroanilino)-2-phenylbutanamide (CID 60991020) is 2-(4-chloroanilino)-2-phenylbutanamide.
What is the SMILES notation for 2-(4-chloroanilino)-2-phenylbutanamide?
The canonical SMILES for 2-(4-chloroanilino)-2-phenylbutanamide is CCC(Nc1ccc(Cl)cc1)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-(4-chloroanilino)-2-phenylbutanamide?
The InChIKey is LNGJVDZCOCELFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-16(15(18)20,12-6-4-3-5-7-12)19-14-10-8-13(17)9-11-14/h3-11,19H,2H2,1H3,(H2,18,20).
What are the key properties of 2-(4-chloroanilino)-2-phenylbutanamide?
2-(4-chloroanilino)-2-phenylbutanamide has a molecular weight of 288.78 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-phenylbutanamide is sourced from PubChem (CID 60991020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).