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

C15H13F2NO3 — CID 78797271

IUPACN-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide
SMILESO=C(NCCc1ccc(O)c(O)c1)c1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO3/c16-10-2-3-11(12(17)8-10)15(21)18-6-5-9-1-4-13(19)14(20)7-9/h1-4,7-8,19-20H,5-6H2,(H,18,21)
InChIKeyWGLVEHDDZCSPIV-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.35
Rot. Bonds4

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

N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide (PubChem CID 78797271) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide
PubChem CID78797271
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC NameN-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide
SMILESO=C(NCCc1ccc(O)c(O)c1)c1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO3/c16-10-2-3-11(12(17)8-10)15(21)18-6-5-9-1-4-13(19)14(20)7-9/h1-4,7-8,19-20H,5-6H2,(H,18,21)
InChIKeyWGLVEHDDZCSPIV-UHFFFAOYSA-N
XLogP2.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.35
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-(3,4-dihydroxyphenyl)ethyl]-3,5-difluorobenzamide
CID 78796775
N-[2-(4-fluorophenyl)ethyl]-2,4-dihydroxybenzamide
CID 103600070
N-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939851
N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51192847
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
2-benzoyl-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 177308540
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 25199546
2,4-difluoro-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108574241
N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 78799931
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 34485300
2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113199033
2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49356336

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide (CID 78797271) is N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide is O=C(NCCc1ccc(O)c(O)c1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide?
The InChIKey is WGLVEHDDZCSPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c16-10-2-3-11(12(17)8-10)15(21)18-6-5-9-1-4-13(19)14(20)7-9/h1-4,7-8,19-20H,5-6H2,(H,18,21).
What are the key properties of N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide?
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide has a molecular weight of 293.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 78797271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).