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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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).