N-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide

C17H13ClN4O2 — CID 1264964

IUPACN-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c1
InChIInChI=1S/C17H13ClN4O2/c1-11(23)12-3-2-4-13(7-12)21-17(24)15-8-14(5-6-16(15)18)22-9-19-20-10-22/h2-10H,1H3,(H,21,24)
InChIKeyLLSIJLIWORIRBZ-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.38
Rot. Bonds4

About N-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide

N-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 1264964) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID1264964
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC NameN-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c1
InChIInChI=1S/C17H13ClN4O2/c1-11(23)12-3-2-4-13(7-12)21-17(24)15-8-14(5-6-16(15)18)22-9-19-20-10-22/h2-10H,1H3,(H,21,24)
InChIKeyLLSIJLIWORIRBZ-UHFFFAOYSA-N
XLogP3.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methylphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 9405625
2-chloro-4,5-difluoro-N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 847944
2-chloro-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834473
2-chloro-N-(4-methylphenyl)-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834481
2-chloro-N-cyclohexyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834474
2-chloro-N-isopropyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834461
2-chloro-N-methyl-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834480
2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
CID 834482
2-chloro-4-fluoro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24399068
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 9267240
N-[4-(acetylamino)phenyl]-2-chloro-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 1253143
2-chloro-N-(4-methyl-2-pyridinyl)-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834470

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide (CID 1264964) is N-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide is CC(=O)c1cccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is LLSIJLIWORIRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c1-11(23)12-3-2-4-13(7-12)21-17(24)15-8-14(5-6-16(15)18)22-9-19-20-10-22/h2-10H,1H3,(H,21,24).
What are the key properties of N-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide?
N-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 340.77 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-chloro-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 1264964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).