2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide

C15H9ClF2N4O — CID 118355479

IUPAC2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1ncn(-c2c(F)cccc2F)n1)c1ccccc1Cl
InChIInChI=1S/C15H9ClF2N4O/c16-10-5-2-1-4-9(10)14(23)20-15-19-8-22(21-15)13-11(17)6-3-7-12(13)18/h1-8H,(H,20,21,23)
InChIKeyOWOMZMHGBOGKAB-UHFFFAOYSA-N
MW334.71 g/mol
LogP3.45
Rot. Bonds3

About 2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide

2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide (PubChem CID 118355479) has the molecular formula C15H9ClF2N4O and a molecular weight of 334.71 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide
PubChem CID118355479
Molecular FormulaC15H9ClF2N4O
Molecular Weight334.71 g/mol
Exact Mass334.04
IUPAC Name2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1ncn(-c2c(F)cccc2F)n1)c1ccccc1Cl
InChIInChI=1S/C15H9ClF2N4O/c16-10-5-2-1-4-9(10)14(23)20-15-19-8-22(21-15)13-11(17)6-3-7-12(13)18/h1-8H,(H,20,21,23)
InChIKeyOWOMZMHGBOGKAB-UHFFFAOYSA-N
XLogP3.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.71
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-[1-[2-fluoro-6-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide
CID 144914098
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide
CID 4867176
2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide
CID 17162632
2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide
CID 113023141
2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide
CID 90096262
N-(1-benzyl-1,2,4-triazol-3-yl)-2,6-difluorobenzamide
CID 4867026
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide
CID 113047175
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 19262606
2-chloro-6-fluoro-N-pyridin-2-ylbenzamide
CID 47142485

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide (CID 118355479) is 2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide is O=C(Nc1ncn(-c2c(F)cccc2F)n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide?
The InChIKey is OWOMZMHGBOGKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N4O/c16-10-5-2-1-4-9(10)14(23)20-15-19-8-22(21-15)13-11(17)6-3-7-12(13)18/h1-8H,(H,20,21,23).
What are the key properties of 2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide?
2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide has a molecular weight of 334.71 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,6-difluorophenyl)-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 118355479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).