N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide

C11H13F3N2O — CID 57280852

IUPACN-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide
SMILESC[C@H](CNc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c1-8(16-10(17)11(12,13)14)7-15-9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyRGPCFMDMKSJDEY-MRVPVSSYSA-N
MW246.23 g/mol
LogP2.17
Rot. Bonds4

About N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide

N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 57280852) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID57280852
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide
SMILESC[C@H](CNc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c1-8(16-10(17)11(12,13)14)7-15-9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyRGPCFMDMKSJDEY-MRVPVSSYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
CID 86592663
triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide
CID 74081310
N-butan-2-yl-2,2-difluoro-2-phenylacetamide
CID 164554338
2,2,2-trifluoro-N-[(2R)-2-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 7038847
3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid
CID 122018548
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-2,2,2-trifluoroacetamide
CID 11097278
N-[(2S)-1-anilinopropan-2-yl]-1-methylpyrrole-2-carboxamide
CID 97250489
N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide
CID 71849163
3-amino-2-(anilinomethyl)butanoic acid
CID 22626953
1-[(2S)-1-anilinopropan-2-yl]-3-(4-hydroxycyclohexyl)urea
CID 96541637
2,2-difluoro-N-(2-methylpropyl)-2-phenylacetamide
CID 134954879

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide (CID 57280852) is N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide is C[C@H](CNc1ccccc1)NC(=O)C(F)(F)F.
What is the InChIKey of N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is RGPCFMDMKSJDEY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-8(16-10(17)11(12,13)14)7-15-9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3,(H,16,17)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide?
N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 246.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-anilinopropan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 57280852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).