N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide

C14H11Cl2NO3 — CID 113199172

IUPACN-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)c(O)c1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2NO3/c15-9-2-1-3-10(14(9)16)17-13(20)7-8-4-5-11(18)12(19)6-8/h1-6,18-19H,7H2,(H,17,20)
InChIKeyOQWVHXAPLFLWPB-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.59
Rot. Bonds3

About N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide

N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide (PubChem CID 113199172) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
PubChem CID113199172
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC NameN-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)c(O)c1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2NO3/c15-9-2-1-3-10(14(9)16)17-13(20)7-8-4-5-11(18)12(19)6-8/h1-6,18-19H,7H2,(H,17,20)
InChIKeyOQWVHXAPLFLWPB-UHFFFAOYSA-N
XLogP3.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.59
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-aminophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 28712388
2-(4-bromophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 1346170
N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199169
N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112524517
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362554
N-[2-(2,3-dichloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 113001513
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
2-(3,4-dihydroxyphenyl)-N-(2,6-dimethylphenyl)acetamide
CID 113199088
N-(2,6-difluorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199182
N-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997146
[2-(2,3-dichloroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 16525418

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide (CID 113199172) is N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide is O=C(Cc1ccc(O)c(O)c1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
The InChIKey is OQWVHXAPLFLWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c15-9-2-1-3-10(14(9)16)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-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide has a molecular weight of 312.15 g/mol, XLogP of 3.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide is sourced from PubChem (CID 113199172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).