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

C13H18FNO2 — CID 155547567

IUPACN-[2-(4-fluoro-3-methoxyphenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc(F)c(OC)c1
InChIInChI=1S/C13H18FNO2/c1-3-4-13(16)15-8-7-10-5-6-11(14)12(9-10)17-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyGVPHWFHNEYQWSU-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.29
Rot. Bonds6

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

N-[2-(4-fluoro-3-methoxyphenyl)ethyl]butanamide (PubChem CID 155547567) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methoxyphenyl)ethyl]butanamide
PubChem CID155547567
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[2-(4-fluoro-3-methoxyphenyl)ethyl]butanamide
SMILESCCCC(=O)NCCc1ccc(F)c(OC)c1
InChIInChI=1S/C13H18FNO2/c1-3-4-13(16)15-8-7-10-5-6-11(14)12(9-10)17-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyGVPHWFHNEYQWSU-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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]butanamide?
The IUPAC name of N-[2-(4-fluoro-3-methoxyphenyl)ethyl]butanamide (CID 155547567) is N-[2-(4-fluoro-3-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for N-[2-(4-fluoro-3-methoxyphenyl)ethyl]butanamide is CCCC(=O)NCCc1ccc(F)c(OC)c1.
What is the InChIKey of N-[2-(4-fluoro-3-methoxyphenyl)ethyl]butanamide?
The InChIKey is GVPHWFHNEYQWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-4-13(16)15-8-7-10-5-6-11(14)12(9-10)17-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(4-fluoro-3-methoxyphenyl)ethyl]butanamide?
N-[2-(4-fluoro-3-methoxyphenyl)ethyl]butanamide has a molecular weight of 239.29 g/mol, XLogP of 2.29, 6 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]butanamide is sourced from PubChem (CID 155547567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).