2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride

C11H13ClF3N3O2 — CID 119268558

IUPAC2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F.Cl
InChIInChI=1S/C11H12F3N3O2.ClH/c1-5(15)11(19)16-4-8(18)17-7-3-2-6(12)9(13)10(7)14;/h2-3,5H,4,15H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyUUXFCHXZAGFOOV-UHFFFAOYSA-N
MW311.69 g/mol
LogP0.93
Rot. Bonds4

About 2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride

2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride (PubChem CID 119268558) has the molecular formula C11H13ClF3N3O2 and a molecular weight of 311.69 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
PubChem CID119268558
Molecular FormulaC11H13ClF3N3O2
Molecular Weight311.69 g/mol
Exact Mass311.06
IUPAC Name2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F.Cl
InChIInChI=1S/C11H12F3N3O2.ClH/c1-5(15)11(19)16-4-8(18)17-7-3-2-6(12)9(13)10(7)14;/h2-3,5H,4,15H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyUUXFCHXZAGFOOV-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 41468828
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 49154304
(2S)-2-(2,5-dichlorophenoxy)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 40811109
4-amino-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide;hydrochloride
CID 120586978
2-[(N'-methylcarbamimidoyl)amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 110913519
2-(4-hydroxypiperidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 46614754
(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 26495308
N-[3-methyl-1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]butan-2-yl]thiophene-2-carboxamide
CID 46563615
(2S)-2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 40942268
[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] 2,4-dimethylbenzoate
CID 6915116
2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
CID 24697513
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 120771602

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride (CID 119268558) is 2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride is CC(N)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F.Cl.
What is the InChIKey of 2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride?
The InChIKey is UUXFCHXZAGFOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2.ClH/c1-5(15)11(19)16-4-8(18)17-7-3-2-6(12)9(13)10(7)14;/h2-3,5H,4,15H2,1H3,(H,16,19)(H,17,18);1H.
What are the key properties of 2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride?
2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride has a molecular weight of 311.69 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119268558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).