N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide

C17H17ClN2O2 — CID 4880065

IUPACN-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-11(19-15-9-5-14(18)6-10-15)17(22)20-16-7-3-13(4-8-16)12(2)21/h3-11,19H,1-2H3,(H,20,22)
InChIKeyJXFGXPAILULBBQ-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.98
Rot. Bonds5

About N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide

N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide (PubChem CID 4880065) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
PubChem CID4880065
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-(4-acetylphenyl)-2-(4-chloroanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-11(19-15-9-5-14(18)6-10-15)17(22)20-16-7-3-13(4-8-16)12(2)21/h3-11,19H,1-2H3,(H,20,22)
InChIKeyJXFGXPAILULBBQ-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide (CID 4880065) is N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide is CC(=O)c1ccc(NC(=O)C(C)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide?
The InChIKey is JXFGXPAILULBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11(19-15-9-5-14(18)6-10-15)17(22)20-16-7-3-13(4-8-16)12(2)21/h3-11,19H,1-2H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide?
N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide has a molecular weight of 316.79 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-chloroanilino)propanamide is sourced from PubChem (CID 4880065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).