3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide

C12H17FN2O2 — CID 62835572

IUPAC3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
SMILESCCNCCC(=O)Nc1ccc(F)cc1OC
InChIInChI=1S/C12H17FN2O2/c1-3-14-7-6-12(16)15-10-5-4-9(13)8-11(10)17-2/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyUNUMRNDTBGGTAD-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.77
Rot. Bonds6

About 3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide

3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide (PubChem CID 62835572) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
PubChem CID62835572
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
SMILESCCNCCC(=O)Nc1ccc(F)cc1OC
InChIInChI=1S/C12H17FN2O2/c1-3-14-7-6-12(16)15-10-5-4-9(13)8-11(10)17-2/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyUNUMRNDTBGGTAD-UHFFFAOYSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
methyl 2-[3-(ethylamino)propanoylamino]-4-fluorobenzoate
CID 55121672
N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 86926661
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide
CID 54967245
3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 86926608
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
N-(4-fluoro-2-methoxyphenyl)-3-(2-nitroanilino)propanamide
CID 86926664
N-(2,4-dibromo-5-methoxyphenyl)-3-(ethylamino)propanamide
CID 103414030
N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
CID 109039452
1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 47248250
N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027869

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide (CID 62835572) is 3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide is CCNCCC(=O)Nc1ccc(F)cc1OC.
What is the InChIKey of 3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide?
The InChIKey is UNUMRNDTBGGTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-3-14-7-6-12(16)15-10-5-4-9(13)8-11(10)17-2/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of 3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide?
3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide has a molecular weight of 240.28 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 62835572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).