N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C13H15F3N2O2 — CID 124589498

IUPACN-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(=O)NC[C@@H](NC(C)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c1-8(19)17-7-12(18-9(2)20)10-4-3-5-11(6-10)13(14,15)16/h3-6,12H,7H2,1-2H3,(H,17,19)(H,18,20)/t12-/m1/s1
InChIKeyUMQPYTJRVWBSPF-GFCCVEGCSA-N
MW288.27 g/mol
LogP2.02
Rot. Bonds4

About N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide

N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 124589498) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID124589498
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(=O)NC[C@@H](NC(C)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c1-8(19)17-7-12(18-9(2)20)10-4-3-5-11(6-10)13(14,15)16/h3-6,12H,7H2,1-2H3,(H,17,19)(H,18,20)/t12-/m1/s1
InChIKeyUMQPYTJRVWBSPF-GFCCVEGCSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 122155992
N-[(2R)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124589497
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 94118048
N-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide
CID 56777609
(3S)-N-(3-acetamidopropyl)-3-[3-(trifluoromethyl)phenyl]butanamide
CID 95632661
N-[(2R)-2-[(2-aminophenyl)sulfanylcarbamoylamino]-2-[3-(trifluoromethyl)phenyl]ethyl]-2-methoxyacetamide
CID 154633896
2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride
CID 119769325
(2S)-2-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315304
N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 139194092
N-[(2S)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
CID 154512800
(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315290
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 124589498) is N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CC(=O)NC[C@@H](NC(C)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is UMQPYTJRVWBSPF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8(19)17-7-12(18-9(2)20)10-4-3-5-11(6-10)13(14,15)16/h3-6,12H,7H2,1-2H3,(H,17,19)(H,18,20)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 288.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 124589498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).