N-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide

C20H17NO4 — CID 23061611

IUPACN-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(Nc1ccccc1-c1ccc(O)c(O)c1)C(O)c1ccccc1
InChIInChI=1S/C20H17NO4/c22-17-11-10-14(12-18(17)23)15-8-4-5-9-16(15)21-20(25)19(24)13-6-2-1-3-7-13/h1-12,19,22-24H,(H,21,25)
InChIKeyOPRXFWKGAGFLBC-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.44
Rot. Bonds4

About N-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide

N-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide (PubChem CID 23061611) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide
PubChem CID23061611
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC NameN-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(Nc1ccccc1-c1ccc(O)c(O)c1)C(O)c1ccccc1
InChIInChI=1S/C20H17NO4/c22-17-11-10-14(12-18(17)23)15-8-4-5-9-16(15)21-20(25)19(24)13-6-2-1-3-7-13/h1-12,19,22-24H,(H,21,25)
InChIKeyOPRXFWKGAGFLBC-UHFFFAOYSA-N
XLogP3.44
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.44
H-Bond Donors ≤ 54
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

2-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)phenyl]-2-methoxyacetamide
CID 23061635
N-(2-fluorophenyl)-2-hydroxy-2-phenylacetamide
CID 82130440
[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamic acid
CID 68875995
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 4618895
N-[2-(ethylaminomethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 43809215
(2R)-2-phenyl-N-(2-phenylphenyl)butanamide
CID 1328236
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
2-methylsulfanyl-N-(2-phenylphenyl)propanamide
CID 43077390
N-(2-bromo-5-chlorophenyl)-2-hydroxy-2-phenylacetamide
CID 114038606
4-chloro-3-[(2-hydroxy-2-phenylacetyl)amino]benzoic acid
CID 43809174
N-(2-acetamido-4-chlorophenyl)-2-hydroxy-2-phenylacetamide
CID 111446363
N-[2-(azepan-1-yl)phenyl]-2-hydroxy-2-phenylacetamide
CID 111432238

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide (CID 23061611) is N-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide is O=C(Nc1ccccc1-c1ccc(O)c(O)c1)C(O)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is OPRXFWKGAGFLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c22-17-11-10-14(12-18(17)23)15-8-4-5-9-16(15)21-20(25)19(24)13-6-2-1-3-7-13/h1-12,19,22-24H,(H,21,25).
What are the key properties of N-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide?
N-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 335.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxyphenyl)phenyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 23061611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).