4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide

C16H10F7NO — CID 118641910

IUPAC4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1C(F)(F)F
InChIInChI=1S/C16H10F7NO/c1-8-2-4-10(7-11(8)15(18,19)20)24-14(25)9-3-5-13(17)12(6-9)16(21,22)23/h2-7H,1H3,(H,24,25)
InChIKeyGRTGWBULIRTOLM-UHFFFAOYSA-N
MW365.25 g/mol
LogP5.42
Rot. Bonds2

About 4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide

4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 118641910) has the molecular formula C16H10F7NO and a molecular weight of 365.25 g/mol. Its IUPAC name is 4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID118641910
Molecular FormulaC16H10F7NO
Molecular Weight365.25 g/mol
Exact Mass365.07
IUPAC Name4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1C(F)(F)F
InChIInChI=1S/C16H10F7NO/c1-8-2-4-10(7-11(8)15(18,19)20)24-14(25)9-3-5-13(17)12(6-9)16(21,22)23/h2-7H,1H3,(H,24,25)
InChIKeyGRTGWBULIRTOLM-UHFFFAOYSA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.25
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 52545008
2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24573056
tert-butyl N-[4-fluoro-3-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]carbamate
CID 137353546
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
CID 60615705
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate
CID 60596590
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
N-(4-chloro-2-methoxy-5-methylphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 52764041
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide (CID 118641910) is 4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1C(F)(F)F.
What is the InChIKey of 4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is GRTGWBULIRTOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F7NO/c1-8-2-4-10(7-11(8)15(18,19)20)24-14(25)9-3-5-13(17)12(6-9)16(21,22)23/h2-7H,1H3,(H,24,25).
What are the key properties of 4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide?
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 365.25 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 118641910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).