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

C15H11ClN4O — CID 17410284

IUPAC3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN4O/c16-12-8-4-7-11(9-12)14(21)18-15-17-13(19-20-15)10-5-2-1-3-6-10/h1-9H,(H2,17,18,19,20,21)
InChIKeyRZRVKQDXDOZLKM-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.38
Rot. Bonds3

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

3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 17410284) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID17410284
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c(-c2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN4O/c16-12-8-4-7-11(9-12)14(21)18-15-17-13(19-20-15)10-5-2-1-3-6-10/h1-9H,(H2,17,18,19,20,21)
InChIKeyRZRVKQDXDOZLKM-UHFFFAOYSA-N
XLogP3.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-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-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]naphthalene-2-carboxamide
CID 9247075
4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]benzoic acid
CID 71563760
3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide
CID 55850055
5-chloro-1,3-dimethyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
CID 11809256
2,6-dichloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 78878372
3-(benzenesulfonylmethyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 60514504
3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033062
N-[4,6-bis(4-methoxyphenyl)pyrimidin-2-yl]-3-chlorobenzamide
CID 20896247
N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-methylbenzamide
CID 9245913
N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-4-chloro-3-nitrobenzamide
CID 9246011
1-ethyl-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea
CID 4885272
3-chloro-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 4592773

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide (CID 17410284) is 3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide is O=C(Nc1n[nH]c(-c2ccccc2)n1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is RZRVKQDXDOZLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-12-8-4-7-11(9-12)14(21)18-15-17-13(19-20-15)10-5-2-1-3-6-10/h1-9H,(H2,17,18,19,20,21).
What are the key properties of 3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide?
3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 298.73 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 3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 17410284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).