2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide

C17H19ClN2O — CID 60860440

IUPAC2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)CNc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13(11-14-7-9-15(18)10-8-14)20-17(21)12-19-16-5-3-2-4-6-16/h2-10,13,19H,11-12H2,1H3,(H,20,21)
InChIKeyBVDXEQPRRPARII-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.50
Rot. Bonds6

About 2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide

2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide (PubChem CID 60860440) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide
PubChem CID60860440
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide
SMILESCC(Cc1ccc(Cl)cc1)NC(=O)CNc1ccccc1
InChIInChI=1S/C17H19ClN2O/c1-13(11-14-7-9-15(18)10-8-14)20-17(21)12-19-16-5-3-2-4-6-16/h2-10,13,19H,11-12H2,1H3,(H,20,21)
InChIKeyBVDXEQPRRPARII-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-2-methoxyacetamide
CID 51948159
2-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-2-phenylacetamide
CID 43697058
2-anilino-N-(4-hydroxypentan-2-yl)acetamide
CID 113376266
2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115740490
N-[1-(4-chlorophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79200504
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
2-anilino-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 60861599
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
N-[1-(4-chlorophenyl)propan-2-yl]-5-hydroxypentanamide
CID 79199126
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide?
The IUPAC name of 2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide (CID 60860440) is 2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide is CC(Cc1ccc(Cl)cc1)NC(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide?
The InChIKey is BVDXEQPRRPARII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13(11-14-7-9-15(18)10-8-14)20-17(21)12-19-16-5-3-2-4-6-16/h2-10,13,19H,11-12H2,1H3,(H,20,21).
What are the key properties of 2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide?
2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide has a molecular weight of 302.81 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 60860440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).