2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

C13H18FNO2 — CID 86985470

IUPAC2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCCOC(C)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-4-17-10(2)13(16)15(3)9-11-6-5-7-12(14)8-11/h5-8,10H,4,9H2,1-3H3
InChIKeyDLFCWNZNFACWBE-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.21
Rot. Bonds5

About 2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 86985470) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID86985470
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCCOC(C)C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-4-17-10(2)13(16)15(3)9-11-6-5-7-12(14)8-11/h5-8,10H,4,9H2,1-3H3
InChIKeyDLFCWNZNFACWBE-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 3-amino-4-ethylbenzoate
CID 95788331
(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide
CID 8609346
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 43028676
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 55374090
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111202
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
methyl 2-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]sulfanylpropanoate
CID 78842851
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
CID 103830963

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (CID 86985470) is 2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is CCOC(C)C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is DLFCWNZNFACWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-17-10(2)13(16)15(3)9-11-6-5-7-12(14)8-11/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 239.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 86985470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).