3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide

C24H19F2N3O2 — CID 69070171

IUPAC3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cccc(COc2ccccc2F)c1
InChIInChI=1S/C24H19F2N3O2/c25-20-10-8-17(9-11-20)14-29-15-21(13-27-29)28-24(30)19-5-3-4-18(12-19)16-31-23-7-2-1-6-22(23)26/h1-13,15H,14,16H2,(H,28,30)
InChIKeyWZZLIKCUASLYNJ-UHFFFAOYSA-N
MW419.43 g/mol
LogP5.04
Rot. Bonds7

About 3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide

3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 69070171) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is 3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID69070171
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cccc(COc2ccccc2F)c1
InChIInChI=1S/C24H19F2N3O2/c25-20-10-8-17(9-11-20)14-29-15-21(13-27-29)28-24(30)19-5-3-4-18(12-19)16-31-23-7-2-1-6-22(23)26/h1-13,15H,14,16H2,(H,28,30)
InChIKeyWZZLIKCUASLYNJ-UHFFFAOYSA-N
XLogP5.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.43
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-1H-pyrazol-4-yl)-3-ethoxybenzamide
CID 1223790
3-[(2-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]benzamide
CID 3325793
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-(trifluoromethyl)benzamide
CID 46833371
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
1-Cyclohexyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884916
1-Benzyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884917
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
(3S)-7-N-methyl-5-N-(1-methylpyrazol-4-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 155119729
N-(4-ethylphenyl)-2-[4-fluoro-2-(1-phenylpyrazole-4-carbonyl)phenoxy]acetamide
CID 2398145
3-[(4-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]benzamide
CID 5075158

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 69070171) is 3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cccc(COc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is WZZLIKCUASLYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c25-20-10-8-17(9-11-20)14-29-15-21(13-27-29)28-24(30)19-5-3-4-18(12-19)16-31-23-7-2-1-6-22(23)26/h1-13,15H,14,16H2,(H,28,30).
What are the key properties of 3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 419.43 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 69070171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).