2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide

C18H16FN3O2 — CID 155546079

IUPAC2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccnn3C)cc2F)cc1
InChIInChI=1S/C18H16FN3O2/c1-22-17(9-10-20-22)12-3-8-15(16(19)11-12)18(23)21-13-4-6-14(24-2)7-5-13/h3-11H,1-2H3,(H,21,23)
InChIKeyUPLWJJZWVQSSNY-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.49
Rot. Bonds4

About 2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide

2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide (PubChem CID 155546079) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide
PubChem CID155546079
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccnn3C)cc2F)cc1
InChIInChI=1S/C18H16FN3O2/c1-22-17(9-10-20-22)12-3-8-15(16(19)11-12)18(23)21-13-4-6-14(24-2)7-5-13/h3-11H,1-2H3,(H,21,23)
InChIKeyUPLWJJZWVQSSNY-UHFFFAOYSA-N
XLogP3.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, 3-methoxy-N-[3-(1-methyl-1H-pyrazol-5-yl)-4-[2-(4-morpholinyl)ethoxy]phenyl]-
CID 11604525
Temanogrel
CID 25177971
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
CID 23648343
(+/-)-3-(4-(1-(4-(4,5,6,7-tetrahydro-2H-indazol-2-yl)phenoxy)butyl)benzamido)propanoic acid
CID 68178614
5-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)acetyl)-1-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 10275412
1-(3-fluoro-4-(2-(1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)-2-oxoethyl)phenyl)pyridin-2(1H)-one
CID 10298942
[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 11612277
N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 46833075
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
[4-(4-fluorophenyl)piperazino][1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanone
CID 2812819

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide (CID 155546079) is 2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide is COc1ccc(NC(=O)c2ccc(-c3ccnn3C)cc2F)cc1.
What is the InChIKey of 2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is UPLWJJZWVQSSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-22-17(9-10-20-22)12-3-8-15(16(19)11-12)18(23)21-13-4-6-14(24-2)7-5-13/h3-11H,1-2H3,(H,21,23).
What are the key properties of 2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide?
2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 325.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 155546079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).