N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide

C14H20FNO3 — CID 115163095

IUPACN-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide
SMILESCCOc1ccc(CCNC(=O)CCCO)cc1F
InChIInChI=1S/C14H20FNO3/c1-2-19-13-6-5-11(10-12(13)15)7-8-16-14(18)4-3-9-17/h5-6,10,17H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyGVJUAQOPNLXCIA-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.66
Rot. Bonds8

About N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide

N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide (PubChem CID 115163095) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide
PubChem CID115163095
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC NameN-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide
SMILESCCOc1ccc(CCNC(=O)CCCO)cc1F
InChIInChI=1S/C14H20FNO3/c1-2-19-13-6-5-11(10-12(13)15)7-8-16-14(18)4-3-9-17/h5-6,10,17H,2-4,7-9H2,1H3,(H,16,18)
InChIKeyGVJUAQOPNLXCIA-UHFFFAOYSA-N
XLogP1.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide
CID 115155420
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-2-sulfanylacetamide
CID 115167384
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
CID 98014591
4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 21282395
4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 95447270
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 110788878
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 98033360
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 26120273

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide?
The IUPAC name of N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide (CID 115163095) is N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide?
The canonical SMILES for N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide is CCOc1ccc(CCNC(=O)CCCO)cc1F.
What is the InChIKey of N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide?
The InChIKey is GVJUAQOPNLXCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-2-19-13-6-5-11(10-12(13)15)7-8-16-14(18)4-3-9-17/h5-6,10,17H,2-4,7-9H2,1H3,(H,16,18).
What are the key properties of N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide?
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide has a molecular weight of 269.32 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-4-hydroxybutanamide is sourced from PubChem (CID 115163095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).