(2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide

C13H16F3NO4 — CID 38900928

IUPAC(2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)c(OC)c1
InChIInChI=1S/C13H16F3NO4/c1-8(21-7-13(14,15)16)12(18)17-10-5-4-9(19-2)6-11(10)20-3/h4-6,8H,7H2,1-3H3,(H,17,18)/t8-/m1/s1
InChIKeyBFNPWBOQWUMVKA-MRVPVSSYSA-N
MW307.27 g/mol
LogP2.61
Rot. Bonds6

About (2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide

(2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 38900928) has the molecular formula C13H16F3NO4 and a molecular weight of 307.27 g/mol. Its IUPAC name is (2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID38900928
Molecular FormulaC13H16F3NO4
Molecular Weight307.27 g/mol
Exact Mass307.10
IUPAC Name(2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)c(OC)c1
InChIInChI=1S/C13H16F3NO4/c1-8(21-7-13(14,15)16)12(18)17-10-5-4-9(19-2)6-11(10)20-3/h4-6,8H,7H2,1-3H3,(H,17,18)/t8-/m1/s1
InChIKeyBFNPWBOQWUMVKA-MRVPVSSYSA-N
XLogP2.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38910693
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077525
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727
N-(2,4-dimethoxyphenyl)-2-(2-ethylphenoxy)propanamide
CID 46763983
(2S)-N-(2,4-dimethoxyphenyl)-2-(2-ethylphenoxy)propanamide
CID 94012680
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-2-methylpropanamide
CID 48846730
2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide
CID 5105223
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
N-(2,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187208

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 38900928) is (2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide is COc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)c(OC)c1.
What is the InChIKey of (2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is BFNPWBOQWUMVKA-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16F3NO4/c1-8(21-7-13(14,15)16)12(18)17-10-5-4-9(19-2)6-11(10)20-3/h4-6,8H,7H2,1-3H3,(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
(2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 307.27 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 38900928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).