2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide

C16H16FNO3 — CID 113199033

IUPAC2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(O)c(O)c1)NCCc1ccccc1F
InChIInChI=1S/C16H16FNO3/c17-13-4-2-1-3-12(13)7-8-18-16(21)10-11-5-6-14(19)15(20)9-11/h1-6,9,19-20H,7-8,10H2,(H,18,21)
InChIKeyHEVNQHXZEDWMPJ-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.14
Rot. Bonds5

About 2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide

2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 113199033) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
PubChem CID113199033
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(O)c(O)c1)NCCc1ccccc1F
InChIInChI=1S/C16H16FNO3/c17-13-4-2-1-3-12(13)7-8-18-16(21)10-11-5-6-14(19)15(20)9-11/h1-6,9,19-20H,7-8,10H2,(H,18,21)
InChIKeyHEVNQHXZEDWMPJ-UHFFFAOYSA-N
XLogP2.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113199035
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide
CID 103951657
N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 78799931
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
2-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113199037
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78796880
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
N-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199182

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide (CID 113199033) is 2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide is O=C(Cc1ccc(O)c(O)c1)NCCc1ccccc1F.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is HEVNQHXZEDWMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c17-13-4-2-1-3-12(13)7-8-18-16(21)10-11-5-6-14(19)15(20)9-11/h1-6,9,19-20H,7-8,10H2,(H,18,21).
What are the key properties of 2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide?
2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 289.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 113199033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).