N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide

C20H21F3N2O2 — CID 113061521

IUPACN-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(C)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O2/c1-14-3-5-16(6-4-14)13-19(27)24-11-12-25(15(2)26)18-9-7-17(8-10-18)20(21,22)23/h3-10H,11-13H2,1-2H3,(H,24,27)
InChIKeyPMUALENCZUJTCF-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.73
Rot. Bonds6

About N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide

N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 113061521) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide
PubChem CID113061521
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(C)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O2/c1-14-3-5-16(6-4-14)13-19(27)24-11-12-25(15(2)26)18-9-7-17(8-10-18)20(21,22)23/h3-10H,11-13H2,1-2H3,(H,24,27)
InChIKeyPMUALENCZUJTCF-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
CID 113057921
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]pentanamide
CID 113061483
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
CID 113059109
N-[2-(N,4-diacetylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113061679
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113059333
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
CID 113061512
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113062988
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
tert-butyl N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061526
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
CID 113057598

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide (CID 113061521) is N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccc(C)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is PMUALENCZUJTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-14-3-5-16(6-4-14)13-19(27)24-11-12-25(15(2)26)18-9-7-17(8-10-18)20(21,22)23/h3-10H,11-13H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide?
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 378.39 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113061521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).