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

C9H7ClN4O — CID 769047

IUPAC2-chloro-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccccc1Cl
InChIInChI=1S/C9H7ClN4O/c10-8-4-2-1-3-7(8)9(15)13-14-5-11-12-6-14/h1-6H,(H,13,15)
InChIKeyUBXBNHYVBQGVLX-UHFFFAOYSA-N
MW222.64 g/mol
LogP1.32
Rot. Bonds2

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

2-chloro-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 769047) has the molecular formula C9H7ClN4O and a molecular weight of 222.64 g/mol. Its IUPAC name is 2-chloro-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID769047
Molecular FormulaC9H7ClN4O
Molecular Weight222.64 g/mol
Exact Mass222.03
IUPAC Name2-chloro-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccccc1Cl
InChIInChI=1S/C9H7ClN4O/c10-8-4-2-1-3-7(8)9(15)13-14-5-11-12-6-14/h1-6H,(H,13,15)
InChIKeyUBXBNHYVBQGVLX-UHFFFAOYSA-N
XLogP1.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 51.32
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-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
2,4-dichloro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3959697
4-fluoro-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814674
2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide
CID 885905

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(1,2,4-triazol-4-yl)benzamide (CID 769047) is 2-chloro-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(1,2,4-triazol-4-yl)benzamide is O=C(Nn1cnnc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is UBXBNHYVBQGVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O/c10-8-4-2-1-3-7(8)9(15)13-14-5-11-12-6-14/h1-6H,(H,13,15).
What are the key properties of 2-chloro-N-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 222.64 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 769047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).