3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide

C19H15NO4 — CID 113199337

IUPAC3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc(O)c(O)c1
InChIInChI=1S/C19H15NO4/c21-16-11-10-13(12-17(16)22)19(23)20-15-8-4-5-9-18(15)24-14-6-2-1-3-7-14/h1-12,21-22H,(H,20,23)
InChIKeyAWKHJDPHNZOMBC-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.14
Rot. Bonds4

About 3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide

3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide (PubChem CID 113199337) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
PubChem CID113199337
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc(O)c(O)c1
InChIInChI=1S/C19H15NO4/c21-16-11-10-13(12-17(16)22)19(23)20-15-8-4-5-9-18(15)24-14-6-2-1-3-7-14/h1-12,21-22H,(H,20,23)
InChIKeyAWKHJDPHNZOMBC-UHFFFAOYSA-N
XLogP4.14
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.14
H-Bond Donors ≤ 53
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

4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
5-bromo-2-hydroxy-N-(2-phenoxyphenyl)benzamide
CID 20604832
N-[2-(difluoromethoxy)phenyl]-3,4-dihydroxybenzamide
CID 103955493
2-(3,4-dihydroxyphenyl)-N-(2-phenoxyphenyl)acetamide
CID 113199162
3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide
CID 43980865
4-ethoxy-3-methoxy-N-(2-phenoxyphenyl)benzamide
CID 24583790
3,4-dihydroxy-N-(2-iodophenyl)benzamide
CID 103956209
4-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 7267210
4-methyl-3-nitro-N-(2-phenoxyphenyl)benzamide
CID 3405198
2,4,5-trimethyl-N-(2-phenoxyphenyl)benzamide
CID 100710300
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208
4-isocyanato-N-(2-phenoxyphenyl)benzamide
CID 169353101

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of 3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide (CID 113199337) is 3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for 3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for 3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide is O=C(Nc1ccccc1Oc1ccccc1)c1ccc(O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide?
The InChIKey is AWKHJDPHNZOMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c21-16-11-10-13(12-17(16)22)19(23)20-15-8-4-5-9-18(15)24-14-6-2-1-3-7-14/h1-12,21-22H,(H,20,23).
What are the key properties of 3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide?
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide has a molecular weight of 321.33 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 113199337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).