N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C24H20FN3O — CID 24630593

IUPACN-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1F
InChIInChI=1S/C24H20FN3O/c1-17-7-12-20(15-23(17)25)27-24(29)22-6-3-2-5-21(22)19-10-8-18(9-11-19)16-28-14-4-13-26-28/h2-15H,16H2,1H3,(H,27,29)
InChIKeyRGBDFOBIIHHDAG-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.30
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 24630593) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID24630593
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1F
InChIInChI=1S/C24H20FN3O/c1-17-7-12-20(15-23(17)25)27-24(29)22-6-3-2-5-21(22)19-10-8-18(9-11-19)16-28-14-4-13-26-28/h2-15H,16H2,1H3,(H,27,29)
InChIKeyRGBDFOBIIHHDAG-UHFFFAOYSA-N
XLogP5.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-nitrophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630815
N-(4-methylsulfanylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46633143
N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630760
N-(4-bromo-2-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630570
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24684483
2-[4-(pyrazol-1-ylmethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]benzamide
CID 55984553
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55635479
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630691
N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24681023
N-(3-fluoro-4-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7422797
1-(3-fluoro-4-methylphenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51290805
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630817

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 24630593) is N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is RGBDFOBIIHHDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O/c1-17-7-12-20(15-23(17)25)27-24(29)22-6-3-2-5-21(22)19-10-8-18(9-11-19)16-28-14-4-13-26-28/h2-15H,16H2,1H3,(H,27,29).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 385.44 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 24630593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).