N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide

C14H11Cl2NO3 — CID 113199169

IUPACN-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)c(O)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2NO3/c15-9-2-3-10(16)11(7-9)17-14(20)6-8-1-4-12(18)13(19)5-8/h1-5,7,18-19H,6H2,(H,17,20)
InChIKeyBXNJDRINVDEWGQ-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.59
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide

N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide (PubChem CID 113199169) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
PubChem CID113199169
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC NameN-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)c(O)c1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2NO3/c15-9-2-3-10(16)11(7-9)17-14(20)6-8-1-4-12(18)13(19)5-8/h1-5,7,18-19H,6H2,(H,17,20)
InChIKeyBXNJDRINVDEWGQ-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

N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
N-(2,5-dichlorophenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399999
N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107019725
N-(2,3-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide
CID 113199172
2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide
CID 41107875
N-(2,5-dichlorophenyl)-2-(4-methylsulfanylphenyl)acetamide
CID 41126402
N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide
CID 113199023
N-(2-amino-4-chlorophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045441
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 893789
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
4-chloro-3-[[2-(4-chlorophenyl)acetyl]amino]benzamide
CID 50875886
2-(5-chlorothiophen-2-yl)-N-(2,5-dichlorophenyl)acetamide
CID 41340579

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide (CID 113199169) is N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide is O=C(Cc1ccc(O)c(O)c1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
The InChIKey is BXNJDRINVDEWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c15-9-2-3-10(16)11(7-9)17-14(20)6-8-1-4-12(18)13(19)5-8/h1-5,7,18-19H,6H2,(H,17,20).
What are the key properties of N-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide?
N-(2,5-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-(2,5-dichlorophenyl)-2-(3,4-dihydroxyphenyl)acetamide is sourced from PubChem (CID 113199169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).