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

C15H11ClN4O — CID 71931815

IUPAC2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cc(-c2ccccc2)ccc1Cl
InChIInChI=1S/C15H11ClN4O/c16-13-7-6-11(10-4-2-1-3-5-10)8-12(13)14(21)19-15-17-9-18-20-15/h1-9H,(H2,17,18,19,20,21)
InChIKeyMRLJLZOLEKKGED-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.38
Rot. Bonds3

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

2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 71931815) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID71931815
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1cc(-c2ccccc2)ccc1Cl
InChIInChI=1S/C15H11ClN4O/c16-13-7-6-11(10-4-2-1-3-5-10)8-12(13)14(21)19-15-17-9-18-20-15/h1-9H,(H2,17,18,19,20,21)
InChIKeyMRLJLZOLEKKGED-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

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Related Compounds

2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
CID 104986154
2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865928
4-chloro-6-methyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide
CID 103803573
2-amino-4-chloro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 110464948
2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 35524053
2-(2-phenylethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2977312
6-(3-chlorophenyl)-N-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxamide
CID 67218065
2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865963
4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 49380377
3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
CID 155944724
2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
CID 30864538
4-fluoro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 103829726

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 71931815) is 2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1cc(-c2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is MRLJLZOLEKKGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-13-7-6-11(10-4-2-1-3-5-10)8-12(13)14(21)19-15-17-9-18-20-15/h1-9H,(H2,17,18,19,20,21).
What are the key properties of 2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-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 2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 71931815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).