2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide

C24H19F4NO2 — CID 153093321

IUPAC2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(CC(=O)Cc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)c1
InChIInChI=1S/C24H19F4NO2/c1-15-5-4-6-16(11-15)12-19(30)13-17-9-10-18(14-21(17)24(26,27)28)29-23(31)20-7-2-3-8-22(20)25/h2-11,14H,12-13H2,1H3,(H,29,31)
InChIKeyVPPFOGKGXHKUSH-UHFFFAOYSA-N
MW429.41 g/mol
LogP5.76
Rot. Bonds6

About 2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide

2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 153093321) has the molecular formula C24H19F4NO2 and a molecular weight of 429.41 g/mol. Its IUPAC name is 2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide
PubChem CID153093321
Molecular FormulaC24H19F4NO2
Molecular Weight429.41 g/mol
Exact Mass429.14
IUPAC Name2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(CC(=O)Cc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)c1
InChIInChI=1S/C24H19F4NO2/c1-15-5-4-6-16(11-15)12-19(30)13-17-9-10-18(14-21(17)24(26,27)28)29-23(31)20-7-2-3-8-22(20)25/h2-11,14H,12-13H2,1H3,(H,29,31)
InChIKeyVPPFOGKGXHKUSH-UHFFFAOYSA-N
XLogP5.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.41
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide
CID 161125503
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide
CID 161306971
N-[4-[[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765591
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
CID 60615705
2-fluoro-N-[4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765497
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 55765678
1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea
CID 148858620
2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765240
2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide
CID 151067192
N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 55765741

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide (CID 153093321) is 2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide is Cc1cccc(CC(=O)Cc2ccc(NC(=O)c3ccccc3F)cc2C(F)(F)F)c1.
What is the InChIKey of 2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VPPFOGKGXHKUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4NO2/c1-15-5-4-6-16(11-15)12-19(30)13-17-9-10-18(14-21(17)24(26,27)28)29-23(31)20-7-2-3-8-22(20)25/h2-11,14H,12-13H2,1H3,(H,29,31).
What are the key properties of 2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide?
2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 429.41 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 153093321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).