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

C11H11ClN4O — CID 103779385

IUPAC4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(Cl)cc2C)n[nH]1
InChIInChI=1S/C11H11ClN4O/c1-6-5-8(12)3-4-9(6)10(17)14-11-13-7(2)15-16-11/h3-5H,1-2H3,(H2,13,14,15,16,17)
InChIKeyHBULHVLPXBANTL-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.33
Rot. Bonds2

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

4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 103779385) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID103779385
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(Cl)cc2C)n[nH]1
InChIInChI=1S/C11H11ClN4O/c1-6-5-8(12)3-4-9(6)10(17)14-11-13-7(2)15-16-11/h3-5H,1-2H3,(H2,13,14,15,16,17)
InChIKeyHBULHVLPXBANTL-UHFFFAOYSA-N
XLogP2.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide
CID 114052523
4-fluoro-2-hydroxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 103830032
2,6-difluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 82815861
3-chloro-4-iodo-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 103736115
4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 112705907
2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928069
2,3-dichloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-nitrobenzamide
CID 107191806
4-chloro-3-methylsulfonyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927700
N-(6-bromo-2-methyl-3-pyridinyl)-4-chloro-2-methylbenzamide
CID 103909568
4-(bromomethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 102851939
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
CID 114257099

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 103779385) is 4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is Cc1nc(NC(=O)c2ccc(Cl)cc2C)n[nH]1.
What is the InChIKey of 4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is HBULHVLPXBANTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-6-5-8(12)3-4-9(6)10(17)14-11-13-7(2)15-16-11/h3-5H,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 250.69 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 103779385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).