4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide

C22H16F6N2O — CID 123503906

IUPAC4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
SMILESCc1ccc(C(=O)NC(c2ccc(C(F)(F)F)cc2)c2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C22H16F6N2O/c1-13-4-6-15(7-5-13)20(31)30-18(14-8-10-16(11-9-14)21(23,24)25)19-17(22(26,27)28)3-2-12-29-19/h2-12,18H,1H3,(H,30,31)
InChIKeyFPBRXHKHDJLDQJ-UHFFFAOYSA-N
MW438.37 g/mol
LogP5.95
Rot. Bonds4

About 4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide

4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide (PubChem CID 123503906) has the molecular formula C22H16F6N2O and a molecular weight of 438.37 g/mol. Its IUPAC name is 4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
PubChem CID123503906
Molecular FormulaC22H16F6N2O
Molecular Weight438.37 g/mol
Exact Mass438.12
IUPAC Name4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
SMILESCc1ccc(C(=O)NC(c2ccc(C(F)(F)F)cc2)c2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C22H16F6N2O/c1-13-4-6-15(7-5-13)20(31)30-18(14-8-10-16(11-9-14)21(23,24)25)19-17(22(26,27)28)3-2-12-29-19/h2-12,18H,1H3,(H,30,31)
InChIKeyFPBRXHKHDJLDQJ-UHFFFAOYSA-N
XLogP5.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]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-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 89310572
3-methoxy-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 89310513
1,3-dioxo-2-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoindole-5-carboxamide
CID 78089287
1,3-dioxo-2-prop-2-enyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]isoindole-5-carboxamide
CID 89310433
2-cyano-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 89310412
1-[(2S)-3-methylbutan-2-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 89310502
4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-quinoline-7-carboxamide
CID 89310509
5-methoxy-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-2-carboxamide
CID 89310600
4-oxo-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyridine-2-carboxamide
CID 89310512
5,7-dimethyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 89310323
ethyl 4-[[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamoylamino]benzoate
CID 123639667
N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-2-methylpyridine-4-carboxamide
CID 71144025

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
The IUPAC name of 4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide (CID 123503906) is 4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
The canonical SMILES for 4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide is Cc1ccc(C(=O)NC(c2ccc(C(F)(F)F)cc2)c2ncccc2C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
The InChIKey is FPBRXHKHDJLDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N2O/c1-13-4-6-15(7-5-13)20(31)30-18(14-8-10-16(11-9-14)21(23,24)25)19-17(22(26,27)28)3-2-12-29-19/h2-12,18H,1H3,(H,30,31).
What are the key properties of 4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide?
4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide has a molecular weight of 438.37 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide is sourced from PubChem (CID 123503906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).