2-amino-3-(2-fluorophenyl)-N-methylpropanamide

C10H13FN2O — CID 116850583

IUPAC2-amino-3-(2-fluorophenyl)-N-methylpropanamide
SMILESCNC(=O)C(N)Cc1ccccc1F
InChIInChI=1S/C10H13FN2O/c1-13-10(14)9(12)6-7-4-2-3-5-8(7)11/h2-5,9H,6,12H2,1H3,(H,13,14)
InChIKeyYWUGIBNWYWLKLS-UHFFFAOYSA-N
MW196.22 g/mol
LogP0.44
Rot. Bonds3

About 2-amino-3-(2-fluorophenyl)-N-methylpropanamide

2-amino-3-(2-fluorophenyl)-N-methylpropanamide (PubChem CID 116850583) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-amino-3-(2-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-(2-fluorophenyl)-N-methylpropanamide
PubChem CID116850583
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name2-amino-3-(2-fluorophenyl)-N-methylpropanamide
SMILESCNC(=O)C(N)Cc1ccccc1F
InChIInChI=1S/C10H13FN2O/c1-13-10(14)9(12)6-7-4-2-3-5-8(7)11/h2-5,9H,6,12H2,1H3,(H,13,14)
InChIKeyYWUGIBNWYWLKLS-UHFFFAOYSA-N
XLogP0.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-amino-1-(2-fluorophenyl)pentan-3-one
CID 77428239
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
CID 58458324
2-methylpropyl (2S)-2-amino-3-(2-fluorophenyl)propanoate
CID 102062750
[(2S)-2-amino-3-(2-fluorophenyl)propanoyl] (2S)-2-amino-4-methylpentanoate
CID 57302866
4-(2-fluorophenyl)-3-(methylamino)butan-2-one
CID 76637468
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
(3R)-3-amino-4-(2-fluorophenyl)-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11233630
methyl 2-cyano-3-(2-fluorophenyl)propanoate
CID 70700074
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-fluorophenyl)-N-methylpropanamide?
The IUPAC name of 2-amino-3-(2-fluorophenyl)-N-methylpropanamide (CID 116850583) is 2-amino-3-(2-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-3-(2-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for 2-amino-3-(2-fluorophenyl)-N-methylpropanamide is CNC(=O)C(N)Cc1ccccc1F.
What is the InChIKey of 2-amino-3-(2-fluorophenyl)-N-methylpropanamide?
The InChIKey is YWUGIBNWYWLKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-13-10(14)9(12)6-7-4-2-3-5-8(7)11/h2-5,9H,6,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(2-fluorophenyl)-N-methylpropanamide?
2-amino-3-(2-fluorophenyl)-N-methylpropanamide has a molecular weight of 196.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 116850583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).