4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide

C25H25F3N2O — CID 141172180

IUPAC4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide
SMILESCC(C)CC(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C25H25F3N2O/c1-16(2)15-23(19-3-5-20(6-4-19)24(29)31)30-22-13-9-18(10-14-22)17-7-11-21(12-8-17)25(26,27)28/h3-14,16,23,30H,15H2,1-2H3,(H2,29,31)
InChIKeyFBRYEYRHYGEZTB-UHFFFAOYSA-N
MW426.48 g/mol
LogP6.67
Rot. Bonds7

About 4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide

4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide (PubChem CID 141172180) has the molecular formula C25H25F3N2O and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide.

Molecular Properties

Compound Name4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide
PubChem CID141172180
Molecular FormulaC25H25F3N2O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide
SMILESCC(C)CC(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C25H25F3N2O/c1-16(2)15-23(19-3-5-20(6-4-19)24(29)31)30-22-13-9-18(10-14-22)17-7-11-21(12-8-17)25(26,27)28/h3-14,16,23,30H,15H2,1-2H3,(H2,29,31)
InChIKeyFBRYEYRHYGEZTB-UHFFFAOYSA-N
XLogP6.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide
CID 141172178
6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide
CID 141333563
6-[[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]amino]pyridine-3-carboxylic acid
CID 67981033
3-[[5-[[(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]amino]pyrimidine-2-carbonyl]amino]propanoic acid
CID 57388937
ethyl 3-[[5-[[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]amino]pyrimidine-2-carbonyl]amino]propanoate
CID 67980817
ethyl 3-[[5-[[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]amino]pyrimidine-2-carbonyl]amino]propanoate
CID 67980658
4-[5-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
CID 141128231
6-[[3-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]butyl]amino]pyridine-3-carboxylic acid
CID 67980959
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 67342546
4-[1-[4-[4-(trifluoromethyl)phenyl]phenoxy]hexyl]benzamide
CID 141128251
4-[4,4-dimethyl-1-[4-[4-(trifluoromethyl)phenyl]phenoxy]pentyl]benzamide
CID 141128357

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide?
The IUPAC name of 4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide (CID 141172180) is 4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide.
What is the SMILES notation for 4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide?
The canonical SMILES for 4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide is CC(C)CC(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide?
The InChIKey is FBRYEYRHYGEZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O/c1-16(2)15-23(19-3-5-20(6-4-19)24(29)31)30-22-13-9-18(10-14-22)17-7-11-21(12-8-17)25(26,27)28/h3-14,16,23,30H,15H2,1-2H3,(H2,29,31).
What are the key properties of 4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide?
4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide has a molecular weight of 426.48 g/mol, XLogP of 6.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide is sourced from PubChem (CID 141172180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).