N-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide

C14H11F2NO3 — CID 113199182

IUPACN-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)c(O)c1)Nc1c(F)cccc1F
InChIInChI=1S/C14H11F2NO3/c15-9-2-1-3-10(16)14(9)17-13(20)7-8-4-5-11(18)12(19)6-8/h1-6,18-19H,7H2,(H,17,20)
InChIKeyNILRFXCGNFAAMI-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.56
Rot. Bonds3

About N-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide

N-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide (PubChem CID 113199182) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
PubChem CID113199182
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC NameN-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)c(O)c1)Nc1c(F)cccc1F
InChIInChI=1S/C14H11F2NO3/c15-9-2-1-3-10(16)14(9)17-13(20)7-8-4-5-11(18)12(19)6-8/h1-6,18-19H,7H2,(H,17,20)
InChIKeyNILRFXCGNFAAMI-UHFFFAOYSA-N
XLogP2.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.56
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

2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide
CID 113199088
2-(4-cyanophenyl)-N-(2,6-difluorophenyl)acetamide
CID 62403831
2-(3,4-dihydroxyphenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113199033
N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 67560299
N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199172
N-(4-acetamidophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199133
N-(2,6-difluorophenyl)-2-pyridin-3-ylacetamide
CID 110697216
N-(2,6-difluoro-3-methylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 82819723
N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107604233
N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199169
N-(2-chloro-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107036138
3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
CID 81497920

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide (CID 113199182) is N-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide is O=C(Cc1ccc(O)c(O)c1)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
The InChIKey is NILRFXCGNFAAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c15-9-2-1-3-10(16)14(9)17-13(20)7-8-4-5-11(18)12(19)6-8/h1-6,18-19H,7H2,(H,17,20).
What are the key properties of N-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
N-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide has a molecular weight of 279.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide is sourced from PubChem (CID 113199182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).