2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide

C12H14F3N3O2 — CID 119338792

IUPAC2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(NC(=O)CN)(C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O2/c1-11(10(17)20,18-9(19)6-16)7-3-2-4-8(5-7)12(13,14)15/h2-5H,6,16H2,1H3,(H2,17,20)(H,18,19)
InChIKeyUSKFJAOAMKJVJU-UHFFFAOYSA-N
MW289.26 g/mol
LogP0.48
Rot. Bonds4

About 2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide

2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 119338792) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID119338792
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(NC(=O)CN)(C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O2/c1-11(10(17)20,18-9(19)6-16)7-3-2-4-8(5-7)12(13,14)15/h2-5H,6,16H2,1H3,(H2,17,20)(H,18,19)
InChIKeyUSKFJAOAMKJVJU-UHFFFAOYSA-N
XLogP0.48
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-methylsulfanylacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 96528918
4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide
CID 119338802
2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 60796923
2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 167951535
2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 71977559
N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyridine-2-carboxamide
CID 71977558
2-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 146090656
N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119524236
[2-(tert-butylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504289
2-[[2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetyl]amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 75244167
2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 115050963
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide
CID 119810304

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide (CID 119338792) is 2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide is CC(NC(=O)CN)(C(N)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is USKFJAOAMKJVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-11(10(17)20,18-9(19)6-16)7-3-2-4-8(5-7)12(13,14)15/h2-5H,6,16H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide?
2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 289.26 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 119338792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).