(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide

C13H14ClF3N2O3 — CID 38938244

IUPAC(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc1Cl
InChIInChI=1S/C13H14ClF3N2O3/c1-7(22-6-13(15,16)17)12(21)19-9-3-4-11(10(14)5-9)18-8(2)20/h3-5,7H,6H2,1-2H3,(H,18,20)(H,19,21)/t7-/m1/s1
InChIKeyJLXUUAXFEIOGNR-SSDOTTSWSA-N
MW338.71 g/mol
LogP3.20
Rot. Bonds5

About (2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide

(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 38938244) has the molecular formula C13H14ClF3N2O3 and a molecular weight of 338.71 g/mol. Its IUPAC name is (2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID38938244
Molecular FormulaC13H14ClF3N2O3
Molecular Weight338.71 g/mol
Exact Mass338.06
IUPAC Name(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc1Cl
InChIInChI=1S/C13H14ClF3N2O3/c1-7(22-6-13(15,16)17)12(21)19-9-3-4-11(10(14)5-9)18-8(2)20/h3-5,7H,6H2,1-2H3,(H,18,20)(H,19,21)/t7-/m1/s1
InChIKeyJLXUUAXFEIOGNR-SSDOTTSWSA-N
XLogP3.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.71
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamido-3-chlorophenyl)-2-methylbutanamide
CID 18149192
(2S)-N-(3-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943627
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38884944
4-[2-(2,2,2-trifluoroethoxy)propanoylamino]benzamide
CID 42960594
N-[4-(aminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 16789668
N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 16794251
N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46485194
(2S)-N-(4-acetamido-3-chlorophenyl)-2-amino-3-methylbutanamide;hydrochloride
CID 119276951
(2R)-N-(3-nitrophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38925963
N-[3-chloro-4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
CID 71857332
N-[3-chloro-4-(methanesulfonamido)phenyl]-2-(2-methylpropoxy)propanamide
CID 47030973
(2R)-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 99587635

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 38938244) is (2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide is CC(=O)Nc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc1Cl.
What is the InChIKey of (2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is JLXUUAXFEIOGNR-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H14ClF3N2O3/c1-7(22-6-13(15,16)17)12(21)19-9-3-4-11(10(14)5-9)18-8(2)20/h3-5,7H,6H2,1-2H3,(H,18,20)(H,19,21)/t7-/m1/s1.
What are the key properties of (2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
(2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 338.71 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamido-3-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 38938244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).