5-chloro-2-(4-chlorotriazol-1-yl)benzamide

C9H6Cl2N4O — CID 167015047

IUPAC5-chloro-2-(4-chlorotriazol-1-yl)benzamide
SMILESNC(=O)c1cc(Cl)ccc1-n1cc(Cl)nn1
InChIInChI=1S/C9H6Cl2N4O/c10-5-1-2-7(6(3-5)9(12)16)15-4-8(11)13-14-15/h1-4H,(H2,12,16)
InChIKeyZOTGLAXPOCATBN-UHFFFAOYSA-N
MW257.08 g/mol
LogP1.67
Rot. Bonds2

About 5-chloro-2-(4-chlorotriazol-1-yl)benzamide

5-chloro-2-(4-chlorotriazol-1-yl)benzamide (PubChem CID 167015047) has the molecular formula C9H6Cl2N4O and a molecular weight of 257.08 g/mol. Its IUPAC name is 5-chloro-2-(4-chlorotriazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(4-chlorotriazol-1-yl)benzamide
PubChem CID167015047
Molecular FormulaC9H6Cl2N4O
Molecular Weight257.08 g/mol
Exact Mass255.99
IUPAC Name5-chloro-2-(4-chlorotriazol-1-yl)benzamide
SMILESNC(=O)c1cc(Cl)ccc1-n1cc(Cl)nn1
InChIInChI=1S/C9H6Cl2N4O/c10-5-1-2-7(6(3-5)9(12)16)15-4-8(11)13-14-15/h1-4H,(H2,12,16)
InChIKeyZOTGLAXPOCATBN-UHFFFAOYSA-N
XLogP1.67
TPSA73.80 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chlorotriazol-1-yl)benzamide?
The IUPAC name of 5-chloro-2-(4-chlorotriazol-1-yl)benzamide (CID 167015047) is 5-chloro-2-(4-chlorotriazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-2-(4-chlorotriazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-2-(4-chlorotriazol-1-yl)benzamide is NC(=O)c1cc(Cl)ccc1-n1cc(Cl)nn1.
What is the InChIKey of 5-chloro-2-(4-chlorotriazol-1-yl)benzamide?
The InChIKey is ZOTGLAXPOCATBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4O/c10-5-1-2-7(6(3-5)9(12)16)15-4-8(11)13-14-15/h1-4H,(H2,12,16).
What are the key properties of 5-chloro-2-(4-chlorotriazol-1-yl)benzamide?
5-chloro-2-(4-chlorotriazol-1-yl)benzamide has a molecular weight of 257.08 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chlorotriazol-1-yl)benzamide is sourced from PubChem (CID 167015047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).