N-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide

C15H11ClN4O — CID 6460255

IUPACN-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C15H11ClN4O/c16-12-3-5-13(6-4-12)19-15(21)11-1-7-14(8-2-11)20-9-17-18-10-20/h1-10H,(H,19,21)
InChIKeyNNUAYQPBQBTOKZ-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.17
Rot. Bonds3

About N-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide

N-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 6460255) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID6460255
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC NameN-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(-n2cnnc2)cc1
InChIInChI=1S/C15H11ClN4O/c16-12-3-5-13(6-4-12)19-15(21)11-1-7-14(8-2-11)20-9-17-18-10-20/h1-10H,(H,19,21)
InChIKeyNNUAYQPBQBTOKZ-UHFFFAOYSA-N
XLogP3.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-4-(tetrazol-1-yl)benzamide
CID 779646
N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide
CID 6460430
3-chloro-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 7693798
N-(3-chloro-4-methylphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 9405625
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-chlorophenyl)-N-(4-methyl-3-(1,2,3,4-tetraazolyl)phenyl)carboxamide
CID 855980
N-(4-chlorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
CID 1473795

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide (CID 6460255) is N-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide is O=C(Nc1ccc(Cl)cc1)c1ccc(-n2cnnc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is NNUAYQPBQBTOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-12-3-5-13(6-4-12)19-15(21)11-1-7-14(8-2-11)20-9-17-18-10-20/h1-10H,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide?
N-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 298.73 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 6460255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).