2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

C11H13F3N2O — CID 62879781

IUPAC2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(N)C(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c1-7(15)10(17)16-6-8-4-2-3-5-9(8)11(12,13)14/h2-5,7H,6,15H2,1H3,(H,16,17)
InChIKeyKXSZEFKZNMFZCJ-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.67
Rot. Bonds3

About 2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 62879781) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID62879781
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(N)C(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c1-7(15)10(17)16-6-8-4-2-3-5-9(8)11(12,13)14/h2-5,7H,6,15H2,1H3,(H,16,17)
InChIKeyKXSZEFKZNMFZCJ-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778
(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62879432
3-amino-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 106112788
(2S)-2-amino-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119313991
(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 51690870
1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 117235456
5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 82010760
2-[2-[(2-aminopropanoylamino)methyl]phenyl]acetic acid
CID 81318490
N-(3-aminobutyl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119496810
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778
2-amino-N-[(2-iodophenyl)methyl]propanamide
CID 77144463
2-(N'-hydroxycarbamimidoyl)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 76975567

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (CID 62879781) is 2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is CC(N)C(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is KXSZEFKZNMFZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-7(15)10(17)16-6-8-4-2-3-5-9(8)11(12,13)14/h2-5,7H,6,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 246.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 62879781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).