4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

C19H18F3NO2 — CID 25402695

IUPAC4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H18F3NO2/c1-13-2-6-15(7-3-13)17(24)10-11-18(25)23-12-14-4-8-16(9-5-14)19(20,21)22/h2-9H,10-12H2,1H3,(H,23,25)
InChIKeyBNJSZYVGRNZSLS-UHFFFAOYSA-N
MW349.35 g/mol
LogP4.29
Rot. Bonds6

About 4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 25402695) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID25402695
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCc1ccc(C(=O)CCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H18F3NO2/c1-13-2-6-15(7-3-13)17(24)10-11-18(25)23-12-14-4-8-16(9-5-14)19(20,21)22/h2-9H,10-12H2,1H3,(H,23,25)
InChIKeyBNJSZYVGRNZSLS-UHFFFAOYSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide 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

4-(4-methylphenyl)-4-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 26594245
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 26695901
4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 20969140
3-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzoic acid
CID 108745441
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 114014911
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108923141
4-(4-ethylphenyl)-4-oxo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]butanamide
CID 31165478
3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 55129127
3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879787
6-oxo-6-[[4-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 62880956

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 25402695) is 4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is Cc1ccc(C(=O)CCC(=O)NCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is BNJSZYVGRNZSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c1-13-2-6-15(7-3-13)17(24)10-11-18(25)23-12-14-4-8-16(9-5-14)19(20,21)22/h2-9H,10-12H2,1H3,(H,23,25).
What are the key properties of 4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 349.35 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 25402695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).