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

C11H11ClN4O — CID 75503905

IUPAC2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2Cl)n1C
InChIInChI=1S/C11H11ClN4O/c1-7-14-15-11(16(7)2)13-10(17)8-5-3-4-6-9(8)12/h3-6H,1-2H3,(H,13,15,17)
InChIKeyJLHGKIHJCXMLGH-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.03
Rot. Bonds2

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

2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 75503905) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide
PubChem CID75503905
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2Cl)n1C
InChIInChI=1S/C11H11ClN4O/c1-7-14-15-11(16(7)2)13-10(17)8-5-3-4-6-9(8)12/h3-6H,1-2H3,(H,13,15,17)
InChIKeyJLHGKIHJCXMLGH-UHFFFAOYSA-N
XLogP2.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 836558
5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 68759354
2-chloro-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
CID 1486940
2-chloro-N-[4-[4-methyl-5-(2-oxopropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide
CID 2920611
2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide
CID 706333
N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-ethylbenzamide
CID 146124324
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide
CID 46249057
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 82176351
2-chloro-N-[5-[1-(4-methylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133202722
2-chloro-N-[4-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
CID 1343929
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide (CID 75503905) is 2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide is Cc1nnc(NC(=O)c2ccccc2Cl)n1C.
What is the InChIKey of 2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is JLHGKIHJCXMLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-7-14-15-11(16(7)2)13-10(17)8-5-3-4-6-9(8)12/h3-6H,1-2H3,(H,13,15,17).
What are the key properties of 2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide?
2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 250.69 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,5-dimethyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 75503905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).