3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide

C13H18FNO2 — CID 51072977

IUPAC3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
SMILESCOCC(C)NC(=O)CCc1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-10(9-17-2)15-13(16)8-7-11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyIYSXWQBBWLHEGZ-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.91
Rot. Bonds6

About 3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide

3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide (PubChem CID 51072977) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
PubChem CID51072977
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
SMILESCOCC(C)NC(=O)CCc1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-10(9-17-2)15-13(16)8-7-11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyIYSXWQBBWLHEGZ-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
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N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
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3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 51725488
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
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N-[1-(2-fluorophenyl)propan-2-yl]-3-(2-methylpropoxy)propanamide
CID 86828580
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride
CID 120609030
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 115957905
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 127121094
2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 3437888
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46664023
3-(2-fluorophenyl)-N-(2-hydroxypropyl)propanamide
CID 110886726

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide (CID 51072977) is 3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide is COCC(C)NC(=O)CCc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide?
The InChIKey is IYSXWQBBWLHEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10(9-17-2)15-13(16)8-7-11-5-3-4-6-12(11)14/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide?
3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide has a molecular weight of 239.29 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide is sourced from PubChem (CID 51072977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).