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

C9H6Cl2N4O — CID 2303698

IUPAC2,4-dichloro-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl2N4O/c10-6-1-2-7(8(11)3-6)9(16)14-15-4-12-13-5-15/h1-5H,(H,14,16)
InChIKeyHCTZANCTOKVCBE-UHFFFAOYSA-N
MW257.08 g/mol
LogP1.97
Rot. Bonds2

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

2,4-dichloro-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 2303698) has the molecular formula C9H6Cl2N4O and a molecular weight of 257.08 g/mol. Its IUPAC name is 2,4-dichloro-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID2303698
Molecular FormulaC9H6Cl2N4O
Molecular Weight257.08 g/mol
Exact Mass255.99
IUPAC Name2,4-dichloro-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl2N4O/c10-6-1-2-7(8(11)3-6)9(16)14-15-4-12-13-5-15/h1-5H,(H,14,16)
InChIKeyHCTZANCTOKVCBE-UHFFFAOYSA-N
XLogP1.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-(1,2,4-triazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(1,2,4-triazol-4-yl)benzamide (CID 2303698) is 2,4-dichloro-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(1,2,4-triazol-4-yl)benzamide is O=C(Nn1cnnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is HCTZANCTOKVCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4O/c10-6-1-2-7(8(11)3-6)9(16)14-15-4-12-13-5-15/h1-5H,(H,14,16).
What are the key properties of 2,4-dichloro-N-(1,2,4-triazol-4-yl)benzamide?
2,4-dichloro-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 257.08 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 2303698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).