7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide

C18H15NO4 — CID 20667848

IUPAC7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2cc(COO)ccc2cc1O
InChIInChI=1S/C18H15NO4/c20-17-10-13-7-6-12(11-23-22)8-14(13)9-16(17)18(21)19-15-4-2-1-3-5-15/h1-10,20,22H,11H2,(H,19,21)
InChIKeyNCGYBGGVFMENKQ-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.79
Rot. Bonds4

About 7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide

7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide (PubChem CID 20667848) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide
PubChem CID20667848
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2cc(COO)ccc2cc1O
InChIInChI=1S/C18H15NO4/c20-17-10-13-7-6-12(11-23-22)8-14(13)9-16(17)18(21)19-15-4-2-1-3-5-15/h1-10,20,22H,11H2,(H,19,21)
InChIKeyNCGYBGGVFMENKQ-UHFFFAOYSA-N
XLogP3.79
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
3-hydroxy-7-N-[4-[[4-[[6-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]phenyl]methyl]phenyl]-2-N-phenylnaphthalene-2,7-dicarboxamide
CID 19595926
ethane;3-hydroxy-7-methyl-N-phenylnaphthalene-2-carboxamide;methane
CID 160768568
3-hydroxy-N-(7-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402830
4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 70504923
3-hydroxy-N-[4-(methylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 25469011
3-hydroxy-N-[7-[3-[(2-hydroxybenzoyl)amino]phenyl]naphthalen-1-yl]naphthalene-2-carboxamide
CID 134171199
2-hydroxy-N-phenylbenzamide
CID 157209959
1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
CID 24819542
1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
CID 7988148
7-N-benzyl-3-hydroxy-2-N-naphthalen-1-ylnaphthalene-2,7-dicarboxamide
CID 22081973
3-methyl-N-phenylnaphthalene-2-carboxamide
CID 90742280

Frequently Asked Questions

What is the IUPAC name of 7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide (CID 20667848) is 7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide is O=C(Nc1ccccc1)c1cc2cc(COO)ccc2cc1O.
What is the InChIKey of 7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The InChIKey is NCGYBGGVFMENKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-17-10-13-7-6-12(11-23-22)8-14(13)9-16(17)18(21)19-15-4-2-1-3-5-15/h1-10,20,22H,11H2,(H,19,21).
What are the key properties of 7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroperoxymethyl)-3-hydroxy-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 20667848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).