N-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

C17H15ClN4O — CID 42063797

IUPACN-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H15ClN4O/c1-12-15(18)3-2-4-16(12)21-17(23)14-7-5-13(6-8-14)9-22-11-19-10-20-22/h2-8,10-11H,9H2,1H3,(H,21,23)
InChIKeyIVYCIDMGETWLME-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.54
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 42063797) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID42063797
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC NameN-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H15ClN4O/c1-12-15(18)3-2-4-16(12)21-17(23)14-7-5-13(6-8-14)9-22-11-19-10-20-22/h2-8,10-11H,9H2,1H3,(H,21,23)
InChIKeyIVYCIDMGETWLME-UHFFFAOYSA-N
XLogP3.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-2-chlorobenzamide
CID 930185
N-(3-chloro-2-methylphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
CID 5002102
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
2-chloro-4-fluoro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24399068
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 24983026

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 42063797) is N-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is Cc1c(Cl)cccc1NC(=O)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is IVYCIDMGETWLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-12-15(18)3-2-4-16(12)21-17(23)14-7-5-13(6-8-14)9-22-11-19-10-20-22/h2-8,10-11H,9H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 326.79 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 42063797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).