N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide

C15H12ClN5O — CID 930185

IUPACN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide
SMILESNc1nc(NC(=O)c2ccccc2Cl)nn1-c1ccccc1
InChIInChI=1S/C15H12ClN5O/c16-12-9-5-4-8-11(12)13(22)18-15-19-14(17)21(20-15)10-6-2-1-3-7-10/h1-9H,(H3,17,18,19,20,22)
InChIKeyGFOXXRIIYBZABT-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.76
Rot. Bonds3

About N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide (PubChem CID 930185) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide
PubChem CID930185
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide
SMILESNc1nc(NC(=O)c2ccccc2Cl)nn1-c1ccccc1
InChIInChI=1S/C15H12ClN5O/c16-12-9-5-4-8-11(12)13(22)18-15-19-14(17)21(20-15)10-6-2-1-3-7-10/h1-9H,(H3,17,18,19,20,22)
InChIKeyGFOXXRIIYBZABT-UHFFFAOYSA-N
XLogP2.76
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide
CID 930187
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-2-phenylacetamide
CID 661952
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 703007
2-chloro-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834473
(5-amino-3-(phenylamino)-1H-1,2,4-triazol-1-yl)(2,6-difluorophenyl)methanone
CID 20820292
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide
CID 703014
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 9267240
N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide
CID 1387078
N-(5-anilino-1H-1,2,4-triazol-3-yl)benzamide
CID 125464900
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-phenylpropanamide
CID 661821
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-fluorobenzamide
CID 703013
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3-phenylacrylamide
CID 802628

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide?
The IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide (CID 930185) is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide.
What is the SMILES notation for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide?
The canonical SMILES for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide is Nc1nc(NC(=O)c2ccccc2Cl)nn1-c1ccccc1.
What is the InChIKey of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide?
The InChIKey is GFOXXRIIYBZABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-12-9-5-4-8-11(12)13(22)18-15-19-14(17)21(20-15)10-6-2-1-3-7-10/h1-9H,(H3,17,18,19,20,22).
What are the key properties of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide?
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide has a molecular weight of 313.75 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-chlorobenzamide is sourced from PubChem (CID 930185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).