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

C15H9Cl2FN4O — CID 18090215

IUPAC4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H9Cl2FN4O/c16-9-1-3-11(12(18)5-9)15(23)21-13-6-10(17)2-4-14(13)22-8-19-7-20-22/h1-8H,(H,21,23)
InChIKeyDEPLUTKWOJDCLU-UHFFFAOYSA-N
MW351.17 g/mol
LogP3.97
Rot. Bonds3

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

4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide (PubChem CID 18090215) has the molecular formula C15H9Cl2FN4O and a molecular weight of 351.17 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
PubChem CID18090215
Molecular FormulaC15H9Cl2FN4O
Molecular Weight351.17 g/mol
Exact Mass350.01
IUPAC Name4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H9Cl2FN4O/c16-9-1-3-11(12(18)5-9)15(23)21-13-6-10(17)2-4-14(13)22-8-19-7-20-22/h1-8H,(H,21,23)
InChIKeyDEPLUTKWOJDCLU-UHFFFAOYSA-N
XLogP3.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834473
N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 8025189
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide
CID 703014
N-(4-chlorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
CID 1473795
4-chloro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 2330456
N-(3-chlorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
CID 3818974
2-chloro-4-fluoro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24399068
N-(5-chloro-2-fluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24980967
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 24983026
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135715117
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 9267240
1-[5-Chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(2-fluorophenyl)urea
CID 9535399

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide (CID 18090215) is 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide?
The InChIKey is DEPLUTKWOJDCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN4O/c16-9-1-3-11(12(18)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 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide?
4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide has a molecular weight of 351.17 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 18090215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).