2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide

C11H14FNO2 — CID 22910298

IUPAC2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide
SMILESCON(C)C(=O)C(F)Cc1ccccc1
InChIInChI=1S/C11H14FNO2/c1-13(15-2)11(14)10(12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyNSGLEGJOKBTOHY-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.59
Rot. Bonds4

About 2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide

2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide (PubChem CID 22910298) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide
PubChem CID22910298
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide
SMILESCON(C)C(=O)C(F)Cc1ccccc1
InChIInChI=1S/C11H14FNO2/c1-13(15-2)11(14)10(12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKeyNSGLEGJOKBTOHY-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910157
[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid
CID 135349152
(2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide
CID 57222497
[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate
CID 175073150
ethyl 2-benzyl-3-[methoxy(methyl)amino]-3-oxopropanoate
CID 59364045
[3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-1-phenylbutan-2-yl]carbamic acid
CID 22593860
benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate
CID 58120009
(2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide
CID 166438600
butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 54291526
2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide
CID 20800925
benzyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo(1,2,3-13C3)propan-2-yl]carbamate
CID 73292966
(2S)-N-methoxy-N-methyl-2-phenoxypropanamide
CID 95297395

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide (CID 22910298) is 2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide is CON(C)C(=O)C(F)Cc1ccccc1.
What is the InChIKey of 2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide?
The InChIKey is NSGLEGJOKBTOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-13(15-2)11(14)10(12)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3.
What are the key properties of 2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide?
2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide has a molecular weight of 211.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 22910298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).