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

C17H16F3NO — CID 25402863

IUPAC2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccccc1CC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO/c1-12-4-2-3-5-14(12)10-16(22)21-11-13-6-8-15(9-7-13)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyUUKYAZIMNRVRKY-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.87
Rot. Bonds4

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

2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 25402863) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID25402863
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccccc1CC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO/c1-12-4-2-3-5-14(12)10-16(22)21-11-13-6-8-15(9-7-13)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeyUUKYAZIMNRVRKY-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-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
2-(2-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 30293543
2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 17494927
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
2-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51072880
methyl 4-[[[2-(2-methylphenyl)acetyl]amino]methyl]benzoate
CID 18189793
2-(2-methylphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464858
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112992693
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
1-(2-ethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3667887

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 25402863) is 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is Cc1ccccc1CC(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is UUKYAZIMNRVRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-12-4-2-3-5-14(12)10-16(22)21-11-13-6-8-15(9-7-13)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22).
What are the key properties of 2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(2-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-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 25402863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).