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

C14H13NO5 — CID 131978402

IUPAC2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1O)Nc1cc(O)ccc1O
InChIInChI=1S/C14H13NO5/c16-9-3-4-12(18)11(6-9)15-14(20)5-8-1-2-10(17)7-13(8)19/h1-4,6-7,16-19H,5H2,(H,15,20)
InChIKeyPXRDNFCLZVQBRF-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.69
Rot. Bonds3

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

2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide (PubChem CID 131978402) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide
PubChem CID131978402
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1O)Nc1cc(O)ccc1O
InChIInChI=1S/C14H13NO5/c16-9-3-4-12(18)11(6-9)15-14(20)5-8-1-2-10(17)7-13(8)19/h1-4,6-7,16-19H,5H2,(H,15,20)
InChIKeyPXRDNFCLZVQBRF-UHFFFAOYSA-N
XLogP1.69
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-4-hydroxyphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740962
N-(2-amino-4-hydroxyphenyl)-2-(2,4-difluorophenyl)acetamide
CID 107697659
2-(2,5-dihydroxyanilino)-2-oxoacetic acid
CID 154478317
4-[(2-hydroxyanilino)methyl]benzene-1,3-diol
CID 21321428
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
4-[(hydroxyamino)methyl]benzene-1,3-diol
CID 10261303
2-(2,5-dihydroxyphenyl)-N-[4-[[2-(2,5-dihydroxyphenyl)acetyl]amino]-9,10-dioxoanthracen-1-yl]acetamide
CID 154128556
2-(2-hydroxyphenyl)-N-(2,4,5-trifluorophenyl)acetamide
CID 80741188
4-ethylbenzene-1,3-diol
CID 17927
4-[[2-[(2,4-dihydroxyphenyl)methylamino]ethylamino]methyl]benzene-1,3-diol
CID 138502169
ethyl 2-(2,5-dihydroxyanilino)-2-oxoacetate
CID 12803557

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide?
The IUPAC name of 2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide (CID 131978402) is 2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1O)Nc1cc(O)ccc1O.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide?
The InChIKey is PXRDNFCLZVQBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c16-9-3-4-12(18)11(6-9)15-14(20)5-8-1-2-10(17)7-13(8)19/h1-4,6-7,16-19H,5H2,(H,15,20).
What are the key properties of 2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide?
2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide has a molecular weight of 275.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)-N-(2,5-dihydroxyphenyl)acetamide is sourced from PubChem (CID 131978402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).