(2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide

C13H15F3N2O3 — CID 99777935

IUPAC(2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide
SMILESCOc1ccccc1CC(=O)N[C@](C)(C(N)=O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-12(11(17)20,13(14,15)16)18-10(19)7-8-5-3-4-6-9(8)21-2/h3-6H,7H2,1-2H3,(H2,17,20)(H,18,19)/t12-/m1/s1
InChIKeyJHEXKDCKYGXWAB-GFCCVEGCSA-N
MW304.27 g/mol
LogP1.16
Rot. Bonds5

About (2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide

(2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide (PubChem CID 99777935) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide
PubChem CID99777935
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name(2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide
SMILESCOc1ccccc1CC(=O)N[C@](C)(C(N)=O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c1-12(11(17)20,13(14,15)16)18-10(19)7-8-5-3-4-6-9(8)21-2/h3-6H,7H2,1-2H3,(H2,17,20)(H,18,19)/t12-/m1/s1
InChIKeyJHEXKDCKYGXWAB-GFCCVEGCSA-N
XLogP1.16
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-[(2-methoxyphenyl)methylamino]-2-methylpropanoic acid
CID 79790952
N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 113343242
N-[2-(2-fluorophenyl)propan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 110446497
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461
N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 114303827
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide
CID 114304648
N-(tert-butylcarbamothioyl)-2-(2-methoxyphenyl)acetamide
CID 88576704
1-tert-butyl-3-[[2-(2-methoxyphenyl)acetyl]amino]thiourea
CID 9425726
2-(2-methoxyphenyl)-N'-methylacetohydrazide
CID 116846272
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide?
The IUPAC name of (2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide (CID 99777935) is (2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide is COc1ccccc1CC(=O)N[C@](C)(C(N)=O)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide?
The InChIKey is JHEXKDCKYGXWAB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-12(11(17)20,13(14,15)16)18-10(19)7-8-5-3-4-6-9(8)21-2/h3-6H,7H2,1-2H3,(H2,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide?
(2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide has a molecular weight of 304.27 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpropanamide is sourced from PubChem (CID 99777935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).