2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide

C24H24F3N3O — CID 11281764

IUPAC2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide
SMILESCc1ccc(NC(C(=O)NCCc2ccncc2)c2ccccc2C)c(C(F)(F)F)c1
InChIInChI=1S/C24H24F3N3O/c1-16-7-8-21(20(15-16)24(25,26)27)30-22(19-6-4-3-5-17(19)2)23(31)29-14-11-18-9-12-28-13-10-18/h3-10,12-13,15,22,30H,11,14H2,1-2H3,(H,29,31)
InChIKeyZXCBBFZWPAPOJA-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.23
Rot. Bonds7

About 2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide

2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 11281764) has the molecular formula C24H24F3N3O and a molecular weight of 427.47 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID11281764
Molecular FormulaC24H24F3N3O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC Name2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide
SMILESCc1ccc(NC(C(=O)NCCc2ccncc2)c2ccccc2C)c(C(F)(F)F)c1
InChIInChI=1S/C24H24F3N3O/c1-16-7-8-21(20(15-16)24(25,26)27)30-22(19-6-4-3-5-17(19)2)23(31)29-14-11-18-9-12-28-13-10-18/h3-10,12-13,15,22,30H,11,14H2,1-2H3,(H,29,31)
InChIKeyZXCBBFZWPAPOJA-UHFFFAOYSA-N
XLogP5.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide 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

2-(2-chloro-4-methylanilino)-2-(2-ethenylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
CID 11384204
2-(2-bromophenyl)-2-(2,4-dichloroanilino)-N-(2-pyridin-4-ylethyl)acetamide
CID 10254516
2-(2-chloro-4-methylanilino)-2-(3-methoxyphenyl)-N-(2-pyridin-4-ylethyl)acetamide
CID 11315821
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid
CID 62515343
1-(2-methylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941173
2-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 56932781
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-(2-phenylethyl)urea
CID 60588996
3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 62727761
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 111119324
(2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 86285465

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide (CID 11281764) is 2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide is Cc1ccc(NC(C(=O)NCCc2ccncc2)c2ccccc2C)c(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is ZXCBBFZWPAPOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O/c1-16-7-8-21(20(15-16)24(25,26)27)30-22(19-6-4-3-5-17(19)2)23(31)29-14-11-18-9-12-28-13-10-18/h3-10,12-13,15,22,30H,11,14H2,1-2H3,(H,29,31).
What are the key properties of 2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide?
2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 427.47 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-[4-methyl-2-(trifluoromethyl)anilino]-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 11281764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).