2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C17H16F3NO — CID 27052812

IUPAC2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO/c1-12-2-4-13(5-3-12)10-16(22)21-11-14-6-8-15(9-7-14)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyRGUNRIFYTPWHCC-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.87
Rot. Bonds4

About 2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 27052812) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID27052812
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO/c1-12-2-4-13(5-3-12)10-16(22)21-11-14-6-8-15(9-7-14)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyRGUNRIFYTPWHCC-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 25402695
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
CID 59915565
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
2-(3,4-dimethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052353
2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31694167
2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 60559844
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
2-(3-fluoro-4-sulfanylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 146211391

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 27052812) is 2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is Cc1ccc(CC(=O)NCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is RGUNRIFYTPWHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-12-2-4-13(5-3-12)10-16(22)21-11-14-6-8-15(9-7-14)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22).
What are the key properties of 2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 307.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 27052812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).