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

C9H6Cl2N4O — CID 2225328

IUPAC2,3-dichloro-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H6Cl2N4O/c10-7-3-1-2-6(8(7)11)9(16)14-15-4-12-13-5-15/h1-5H,(H,14,16)
InChIKeyDKPZDBJCCGIDPF-UHFFFAOYSA-N
MW257.08 g/mol
LogP1.97
Rot. Bonds2

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

2,3-dichloro-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 2225328) has the molecular formula C9H6Cl2N4O and a molecular weight of 257.08 g/mol. Its IUPAC name is 2,3-dichloro-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID2225328
Molecular FormulaC9H6Cl2N4O
Molecular Weight257.08 g/mol
Exact Mass255.99
IUPAC Name2,3-dichloro-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H6Cl2N4O/c10-7-3-1-2-6(8(7)11)9(16)14-15-4-12-13-5-15/h1-5H,(H,14,16)
InChIKeyDKPZDBJCCGIDPF-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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2,3-dichloro-N-(1,2,4-triazol-4-yl)benzamide (CID 2225328) is 2,3-dichloro-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(1,2,4-triazol-4-yl)benzamide is O=C(Nn1cnnc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is DKPZDBJCCGIDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4O/c10-7-3-1-2-6(8(7)11)9(16)14-15-4-12-13-5-15/h1-5H,(H,14,16).
What are the key properties of 2,3-dichloro-N-(1,2,4-triazol-4-yl)benzamide?
2,3-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 2,3-dichloro-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 2225328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).