2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide

C24H18F5NO2 — CID 161306971

IUPAC2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(CC(=O)Cc2ccc(NC(=O)c3cc(F)ccc3F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C24H18F5NO2/c1-14-3-2-4-15(9-14)10-18(31)11-16-5-8-22(20(12-16)24(27,28)29)30-23(32)19-13-17(25)6-7-21(19)26/h2-9,12-13H,10-11H2,1H3,(H,30,32)
InChIKeyVIJOCMVAWXXTLL-UHFFFAOYSA-N
MW447.40 g/mol
LogP5.90
Rot. Bonds6

About 2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide

2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 161306971) has the molecular formula C24H18F5NO2 and a molecular weight of 447.40 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide
PubChem CID161306971
Molecular FormulaC24H18F5NO2
Molecular Weight447.40 g/mol
Exact Mass447.13
IUPAC Name2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(CC(=O)Cc2ccc(NC(=O)c3cc(F)ccc3F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C24H18F5NO2/c1-14-3-2-4-15(9-14)10-18(31)11-16-5-8-22(20(12-16)24(27,28)29)30-23(32)19-13-17(25)6-7-21(19)26/h2-9,12-13H,10-11H2,1H3,(H,30,32)
InChIKeyVIJOCMVAWXXTLL-UHFFFAOYSA-N
XLogP5.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.40
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]urea
CID 148858620
N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 161210544
5-chloro-N-[4-[3-[3-(difluoromethyl)phenyl]-2-oxopropyl]-2-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 159943922
2-fluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-3-(trifluoromethyl)phenyl]benzamide
CID 153093321
2-fluoro-N-[4-fluoro-3-[3-(3-methylphenyl)-2-oxopropyl]phenyl]-5-methylbenzamide
CID 161125503
N-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]-2,5-difluorobenzamide
CID 71685412
2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24573056
4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046917
1-(2-bromo-5-fluorophenyl)-3-(3-methylphenyl)propan-2-one
CID 62619910
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)acetamide
CID 6464374

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide (CID 161306971) is 2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide is Cc1cccc(CC(=O)Cc2ccc(NC(=O)c3cc(F)ccc3F)c(C(F)(F)F)c2)c1.
What is the InChIKey of 2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VIJOCMVAWXXTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5NO2/c1-14-3-2-4-15(9-14)10-18(31)11-16-5-8-22(20(12-16)24(27,28)29)30-23(32)19-13-17(25)6-7-21(19)26/h2-9,12-13H,10-11H2,1H3,(H,30,32).
What are the key properties of 2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide?
2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 447.40 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-[3-(3-methylphenyl)-2-oxopropyl]-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 161306971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).