3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide

C10H11F3N2O — CID 62815213

IUPAC3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
SMILESCC(CN)C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C10H11F3N2O/c1-5(4-14)10(16)15-9-3-7(12)6(11)2-8(9)13/h2-3,5H,4,14H2,1H3,(H,15,16)
InChIKeyQZRCXJTYSNNSOX-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.64
Rot. Bonds3

About 3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide

3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide (PubChem CID 62815213) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
PubChem CID62815213
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
SMILESCC(CN)C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C10H11F3N2O/c1-5(4-14)10(16)15-9-3-7(12)6(11)2-8(9)13/h2-3,5H,4,14H2,1H3,(H,15,16)
InChIKeyQZRCXJTYSNNSOX-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide
CID 104685005
2-(aminomethyl)-3-methyl-N-(2,4,5-trifluorophenyl)butanamide
CID 62814873
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267
3-amino-2-methyl-3-sulfanylidene-N-(2,4,5-trifluorophenyl)propanamide
CID 62815576
3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide
CID 107625700
3-amino-N-(2-bromo-4-fluorophenyl)-2-methylpropanamide
CID 62670318
4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride
CID 120588070
methyl 5-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2,4-difluorobenzoate
CID 65225371
(2R)-2-[(2,4,5-trifluorophenyl)carbamoylamino]propanoic acid
CID 78917560
2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid
CID 55104752
3-amino-N-(4-bromo-2,5-difluorophenyl)-2-methoxypropanamide
CID 106114183
2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2,4,5-trifluorophenyl)butanamide
CID 55117974

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide?
The IUPAC name of 3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide (CID 62815213) is 3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide?
The canonical SMILES for 3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide is CC(CN)C(=O)Nc1cc(F)c(F)cc1F.
What is the InChIKey of 3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide?
The InChIKey is QZRCXJTYSNNSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-5(4-14)10(16)15-9-3-7(12)6(11)2-8(9)13/h2-3,5H,4,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide?
3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide has a molecular weight of 232.20 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2,4,5-trifluorophenyl)propanamide is sourced from PubChem (CID 62815213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).