N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide

C19H16FNO4 — CID 78799931

IUPACN-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H16FNO4/c20-14-4-2-1-3-13(14)17-7-8-18(25-17)19(24)21-10-9-12-5-6-15(22)16(23)11-12/h1-8,11,22-23H,9-10H2,(H,21,24)
InChIKeyZSVKGOIEEPOKAV-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.47
Rot. Bonds5

About N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide

N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 78799931) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID78799931
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC NameN-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H16FNO4/c20-14-4-2-1-3-13(14)17-7-8-18(25-17)19(24)21-10-9-12-5-6-15(22)16(23)11-12/h1-8,11,22-23H,9-10H2,(H,21,24)
InChIKeyZSVKGOIEEPOKAV-UHFFFAOYSA-N
XLogP3.47
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 51109880
5-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 51180762
5-(2-fluorophenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]furan-2-carboxamide
CID 47083758
5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
N-[2-(3,4-dihydroxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 78796682
5-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9080736
2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113199033
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 51120004
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 25390328
N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 134014960

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide (CID 78799931) is N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide is O=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is ZSVKGOIEEPOKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c20-14-4-2-1-3-13(14)17-7-8-18(25-17)19(24)21-10-9-12-5-6-15(22)16(23)11-12/h1-8,11,22-23H,9-10H2,(H,21,24).
What are the key properties of N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide?
N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 78799931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).