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

C15H9Cl2FN4O — CID 18090214

IUPAC5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H9Cl2FN4O/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)
InChIKeyPJHLTJBIYIZKJF-UHFFFAOYSA-N
MW351.17 g/mol
LogP3.97
Rot. Bonds3

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

5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide (PubChem CID 18090214) has the molecular formula C15H9Cl2FN4O and a molecular weight of 351.17 g/mol. Its IUPAC name is 5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
PubChem CID18090214
Molecular FormulaC15H9Cl2FN4O
Molecular Weight351.17 g/mol
Exact Mass350.01
IUPAC Name5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H9Cl2FN4O/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)
InChIKeyPJHLTJBIYIZKJF-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

2,5-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 31527228
[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620603
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 24819914
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylfuran-3-carboxamide
CID 78808953
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(difluoromethoxy)benzamide
CID 18084497
5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 31527286
3,6-dichloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]pyridine-2-carboxamide
CID 31402196
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-phenylbenzamide
CID 16549214
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3,5-dinitrobenzamide
CID 55337238
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-fluorophenyl)acetamide
CID 18084476
4,5-dibromo-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 31527323
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7964673

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide (CID 18090214) is 5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide?
The InChIKey is PJHLTJBIYIZKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN4O/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 5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide?
5-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 5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 18090214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).