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

C10H9ClN4O — CID 807494

IUPAC3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nn2cnnc2)cc1Cl
InChIInChI=1S/C10H9ClN4O/c1-7-2-3-8(4-9(7)11)10(16)14-15-5-12-13-6-15/h2-6H,1H3,(H,14,16)
InChIKeyJDHVRSVMCQUWAE-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.62
Rot. Bonds2

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

3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 807494) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID807494
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nn2cnnc2)cc1Cl
InChIInChI=1S/C10H9ClN4O/c1-7-2-3-8(4-9(7)11)10(16)14-15-5-12-13-6-15/h2-6H,1H3,(H,14,16)
InChIKeyJDHVRSVMCQUWAE-UHFFFAOYSA-N
XLogP1.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-(1,2,4-triazol-4-yl)urea
CID 17278361
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2337108
4-bromo-N-(1,2,4-triazol-4-yl)benzamide
CID 2833459
3-chloro-N-cyano-4-methylbenzamide
CID 79194482
4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
CID 63195185
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
2-methyl-5-piperidin-1-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2344795
3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide
CID 103895299
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
3-chloro-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-4-methylbenzamide
CID 56787010
1-(3-chloro-4-methylphenyl)propane-1,2-dione
CID 82125872

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide (CID 807494) is 3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide is Cc1ccc(C(=O)Nn2cnnc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is JDHVRSVMCQUWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-7-2-3-8(4-9(7)11)10(16)14-15-5-12-13-6-15/h2-6H,1H3,(H,14,16).
What are the key properties of 3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide?
3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 236.66 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 807494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).