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

C12H13F3N2O2 — CID 143901871

IUPAC2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O2/c1-8(18)16-7-11(19)17-6-9-2-4-10(5-3-9)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyQQMMJWJDBWCGBG-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.46
Rot. Bonds4

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

2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 143901871) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID143901871
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(=O)NCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O2/c1-8(18)16-7-11(19)17-6-9-2-4-10(5-3-9)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyQQMMJWJDBWCGBG-UHFFFAOYSA-N
XLogP1.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 60559844
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 112993165
2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 162170581
3-amino-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880466
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
4-hydroxy-3-methoxy-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 146422502
N-[[4-(trifluoromethyl)phenyl]methyl]but-3-enamide
CID 59536949
2-acetamido-N-[(4-aminophenyl)methyl]acetamide;methoxymethane
CID 143901890

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 143901871) is 2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is CC(=O)NCC(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is QQMMJWJDBWCGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-8(18)16-7-11(19)17-6-9-2-4-10(5-3-9)12(13,14)15/h2-5H,6-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 274.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 143901871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).