2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide

C15H9Cl3N4O — CID 31527228

IUPAC2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H9Cl3N4O/c16-9-1-3-12(18)11(5-9)15(23)21-13-6-10(17)2-4-14(13)22-8-19-7-20-22/h1-8H,(H,21,23)
InChIKeyOTHCQWZTHCFTHG-UHFFFAOYSA-N
MW367.62 g/mol
LogP4.48
Rot. Bonds3

About 2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide

2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 31527228) has the molecular formula C15H9Cl3N4O and a molecular weight of 367.62 g/mol. Its IUPAC name is 2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID31527228
Molecular FormulaC15H9Cl3N4O
Molecular Weight367.62 g/mol
Exact Mass365.98
IUPAC Name2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H9Cl3N4O/c16-9-1-3-12(18)11(5-9)15(23)21-13-6-10(17)2-4-14(13)22-8-19-7-20-22/h1-8H,(H,21,23)
InChIKeyOTHCQWZTHCFTHG-UHFFFAOYSA-N
XLogP4.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 31527228) is 2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is OTHCQWZTHCFTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N4O/c16-9-1-3-12(18)11(5-9)15(23)21-13-6-10(17)2-4-14(13)22-8-19-7-20-22/h1-8H,(H,21,23).
What are the key properties of 2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide?
2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 367.62 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 31527228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).