N-(4-acetylphenyl)-5-amino-2-chlorobenzamide

C15H13ClN2O2 — CID 28723012

IUPACN-(4-acetylphenyl)-5-amino-2-chlorobenzamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(N)ccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O2/c1-9(19)10-2-5-12(6-3-10)18-15(20)13-8-11(17)4-7-14(13)16/h2-8H,17H2,1H3,(H,18,20)
InChIKeyRGCVNVUJAAMPSE-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.38
Rot. Bonds3

About N-(4-acetylphenyl)-5-amino-2-chlorobenzamide

N-(4-acetylphenyl)-5-amino-2-chlorobenzamide (PubChem CID 28723012) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-amino-2-chlorobenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-amino-2-chlorobenzamide
PubChem CID28723012
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC NameN-(4-acetylphenyl)-5-amino-2-chlorobenzamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(N)ccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O2/c1-9(19)10-2-5-12(6-3-10)18-15(20)13-8-11(17)4-7-14(13)16/h2-8H,17H2,1H3,(H,18,20)
InChIKeyRGCVNVUJAAMPSE-UHFFFAOYSA-N
XLogP3.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-amino-2-chloroanilino)phenyl]ethanone
CID 82302045
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
N-(4-acetylphenyl)-4-aminopyridine-2-carboxamide
CID 82299178
4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide
CID 28748853
N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide
CID 103763178
5-amino-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 28723038
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
CID 16792666
N-(4-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 773732
N-(4-acetylphenyl)-2-bromofuran-3-carboxamide
CID 106852251
methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate
CID 61117353
5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 28983950

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-amino-2-chlorobenzamide?
The IUPAC name of N-(4-acetylphenyl)-5-amino-2-chlorobenzamide (CID 28723012) is N-(4-acetylphenyl)-5-amino-2-chlorobenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-amino-2-chlorobenzamide?
The canonical SMILES for N-(4-acetylphenyl)-5-amino-2-chlorobenzamide is CC(=O)c1ccc(NC(=O)c2cc(N)ccc2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-amino-2-chlorobenzamide?
The InChIKey is RGCVNVUJAAMPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-9(19)10-2-5-12(6-3-10)18-15(20)13-8-11(17)4-7-14(13)16/h2-8H,17H2,1H3,(H,18,20).
What are the key properties of N-(4-acetylphenyl)-5-amino-2-chlorobenzamide?
N-(4-acetylphenyl)-5-amino-2-chlorobenzamide has a molecular weight of 288.73 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-amino-2-chlorobenzamide is sourced from PubChem (CID 28723012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).