N-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide

C15H18FNO3 — CID 58655188

IUPACN-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide
SMILESC#CCOc1ccc(CCC(=O)NCC)c(F)c1OC
InChIInChI=1S/C15H18FNO3/c1-4-10-20-12-8-6-11(14(16)15(12)19-3)7-9-13(18)17-5-2/h1,6,8H,5,7,9-10H2,2-3H3,(H,17,18)
InChIKeyPHZAPESOTRTDTD-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.91
Rot. Bonds7

About N-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide

N-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide (PubChem CID 58655188) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide
PubChem CID58655188
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC NameN-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide
SMILESC#CCOc1ccc(CCC(=O)NCC)c(F)c1OC
InChIInChI=1S/C15H18FNO3/c1-4-10-20-12-8-6-11(14(16)15(12)19-3)7-9-13(18)17-5-2/h1,6,8H,5,7,9-10H2,2-3H3,(H,17,18)
InChIKeyPHZAPESOTRTDTD-UHFFFAOYSA-N
XLogP1.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide?
The IUPAC name of N-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide (CID 58655188) is N-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide.
What is the SMILES notation for N-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide?
The canonical SMILES for N-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide is C#CCOc1ccc(CCC(=O)NCC)c(F)c1OC.
What is the InChIKey of N-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide?
The InChIKey is PHZAPESOTRTDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-4-10-20-12-8-6-11(14(16)15(12)19-3)7-9-13(18)17-5-2/h1,6,8H,5,7,9-10H2,2-3H3,(H,17,18).
What are the key properties of N-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide?
N-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide has a molecular weight of 279.31 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide is sourced from PubChem (CID 58655188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).