N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide

C12H16FNO2 — CID 14901813

IUPACN-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccc(F)c(OC)c1
InChIInChI=1S/C12H16FNO2/c1-3-12(15)14-7-6-9-4-5-10(13)11(8-9)16-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyPOCDFQMKOFJYLD-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.90
Rot. Bonds5

About N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide

N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide (PubChem CID 14901813) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide
PubChem CID14901813
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC NameN-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1ccc(F)c(OC)c1
InChIInChI=1S/C12H16FNO2/c1-3-12(15)14-7-6-9-4-5-10(13)11(8-9)16-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyPOCDFQMKOFJYLD-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide (CID 14901813) is N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide is CCC(=O)NCCc1ccc(F)c(OC)c1.
What is the InChIKey of N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide?
The InChIKey is POCDFQMKOFJYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-12(15)14-7-6-9-4-5-10(13)11(8-9)16-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide?
N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide has a molecular weight of 225.26 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 14901813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).