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

C25H22F4N2O2 — CID 55777625

IUPAC4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(CCCC(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1
InChIInChI=1S/C25H22F4N2O2/c1-16-5-7-17(8-6-16)3-2-4-23(32)31-22-14-13-20(15-21(22)25(27,28)29)30-24(33)18-9-11-19(26)12-10-18/h5-15H,2-4H2,1H3,(H,30,33)(H,31,32)
InChIKeyMTIADTCIKTUWDL-UHFFFAOYSA-N
MW458.46 g/mol
LogP6.37
Rot. Bonds7

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

4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 55777625) has the molecular formula C25H22F4N2O2 and a molecular weight of 458.46 g/mol. Its IUPAC name is 4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide
PubChem CID55777625
Molecular FormulaC25H22F4N2O2
Molecular Weight458.46 g/mol
Exact Mass458.16
IUPAC Name4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(CCCC(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1
InChIInChI=1S/C25H22F4N2O2/c1-16-5-7-17(8-6-16)3-2-4-23(32)31-22-14-13-20(15-21(22)25(27,28)29)30-24(33)18-9-11-19(26)12-10-18/h5-15H,2-4H2,1H3,(H,30,33)(H,31,32)
InChIKeyMTIADTCIKTUWDL-UHFFFAOYSA-N
XLogP6.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.46
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 52638951
4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 78885374
N-[4-[3-(4-fluorophenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18272984
N-[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 55764258
4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55699425
4-fluoro-N-[4-[[2-(3-methoxyphenoxy)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 112845502
N-[4-[(4-fluorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 55782346
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-[4-[3-(2,4-dimethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18273140
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
N-[4-[3-(4-ethylphenyl)propanoylamino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55500727
2-fluoro-N-[4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55765240

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide (CID 55777625) is 4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(CCCC(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is MTIADTCIKTUWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N2O2/c1-16-5-7-17(8-6-16)3-2-4-23(32)31-22-14-13-20(15-21(22)25(27,28)29)30-24(33)18-9-11-19(26)12-10-18/h5-15H,2-4H2,1H3,(H,30,33)(H,31,32).
What are the key properties of 4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide?
4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 458.46 g/mol, XLogP of 6.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[4-(4-methylphenyl)butanoylamino]-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 55777625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).