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

C10H9ClN4O — CID 885905

IUPAC2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nn2cnnc2)c(Cl)c1
InChIInChI=1S/C10H9ClN4O/c1-7-2-3-8(9(11)4-7)10(16)14-15-5-12-13-6-15/h2-6H,1H3,(H,14,16)
InChIKeyVRDADCXDBQTMRY-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.62
Rot. Bonds2

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

2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 885905) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID885905
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nn2cnnc2)c(Cl)c1
InChIInChI=1S/C10H9ClN4O/c1-7-2-3-8(9(11)4-7)10(16)14-15-5-12-13-6-15/h2-6H,1H3,(H,14,16)
InChIKeyVRDADCXDBQTMRY-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

4-methyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814664
5-bromo-2-chloro-N-(1,2,4-triazol-4-yl)benzamide
CID 977963
2,5-dichloro-N-(1,2,4-triazol-4-yl)benzamide
CID 690470
N-(1,2,4)Triazol-4-YL-benzamide
CID 676579
3-chloro-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 807494
4-tert-butyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814667
4-Chloro-N-[1,2,4]triazol-4-yl-benzamide
CID 814676
2-Methyl-N-[1,2,4]triazol-4-yl-benzamide
CID 2247187
4-cyano-N-(1,2,4-triazol-4-yl)benzamide
CID 2409153
3,4-dichloro-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 3432676
4-fluoro-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814674
(3-amino-4H-1,2,4-triazol-4-yl)(2-chlorophenyl)methanone
CID 892383

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide (CID 885905) is 2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide is Cc1ccc(C(=O)Nn2cnnc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is VRDADCXDBQTMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-7-2-3-8(9(11)4-7)10(16)14-15-5-12-13-6-15/h2-6H,1H3,(H,14,16).
What are the key properties of 2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide?
2-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 2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 885905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).