3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide

C22H14ClF2N3O — CID 46088012

IUPAC3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H14ClF2N3O/c23-18-11-15(9-10-19(18)25)22(29)26-21-13-20(14-5-2-1-3-6-14)27-28(21)17-8-4-7-16(24)12-17/h1-13H,(H,26,29)
InChIKeyUGMMGDDCSKRRGW-UHFFFAOYSA-N
MW409.82 g/mol
LogP5.72
Rot. Bonds4

About 3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide

3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide (PubChem CID 46088012) has the molecular formula C22H14ClF2N3O and a molecular weight of 409.82 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
PubChem CID46088012
Molecular FormulaC22H14ClF2N3O
Molecular Weight409.82 g/mol
Exact Mass409.08
IUPAC Name3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide
SMILESO=C(Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C22H14ClF2N3O/c23-18-11-15(9-10-19(18)25)22(29)26-21-13-20(14-5-2-1-3-6-14)27-28(21)17-8-4-7-16(24)12-17/h1-13H,(H,26,29)
InChIKeyUGMMGDDCSKRRGW-UHFFFAOYSA-N
XLogP5.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.82
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-diphenylpyrazol-5-yl)-2,5-difluorobenzamide
CID 11383259
3-chloro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134799352
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]-2,6-dimethoxypyridine-3-carboxamide
CID 91633981
2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088054
3,5-dichloro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088105
3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-3-cyano-4-(4-fluorophenyl)benzamide
CID 53327838
1-(3,4-difluorophenyl)-3-(1,3-diphenylpyrazol-5-yl)urea
CID 71812409
2-fluoro-N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)benzamide
CID 134796816
3-chloro-N-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-5-yl]benzamide
CID 46088099
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide (CID 46088012) is 3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide is O=C(Nc1cc(-c2ccccc2)nn1-c1cccc(F)c1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide?
The InChIKey is UGMMGDDCSKRRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF2N3O/c23-18-11-15(9-10-19(18)25)22(29)26-21-13-20(14-5-2-1-3-6-14)27-28(21)17-8-4-7-16(24)12-17/h1-13H,(H,26,29).
What are the key properties of 3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide?
3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide has a molecular weight of 409.82 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[1-(3-fluorophenyl)-3-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 46088012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).