N-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide

C26H17N3O4 — CID 154835094

IUPACN-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide
SMILESO=C(/N=N/C(=O)c1ccc2ccccc2c1)c1cccc(-n2c(O)c3ccccc3c2O)c1
InChIInChI=1S/C26H17N3O4/c30-23(27-28-24(31)19-13-12-16-6-1-2-7-17(16)14-19)18-8-5-9-20(15-18)29-25(32)21-10-3-4-11-22(21)26(29)33/h1-15,32-33H/b28-27+
InChIKeyLCBUHJVSYZUPJP-BYYHNAKLSA-N
MW435.44 g/mol
LogP5.63
Rot. Bonds3

About N-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide

N-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide (PubChem CID 154835094) has the molecular formula C26H17N3O4 and a molecular weight of 435.44 g/mol. Its IUPAC name is N-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide
PubChem CID154835094
Molecular FormulaC26H17N3O4
Molecular Weight435.44 g/mol
Exact Mass435.12
IUPAC NameN-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide
SMILESO=C(/N=N/C(=O)c1ccc2ccccc2c1)c1cccc(-n2c(O)c3ccccc3c2O)c1
InChIInChI=1S/C26H17N3O4/c30-23(27-28-24(31)19-13-12-16-6-1-2-7-17(16)14-19)18-8-5-9-20(15-18)29-25(32)21-10-3-4-11-22(21)26(29)33/h1-15,32-33H/b28-27+
InChIKeyLCBUHJVSYZUPJP-BYYHNAKLSA-N
XLogP5.63
TPSA104.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.44
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium
CID 135800519
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
N-oxotetracene-2-carboxamide
CID 22400129
naphthalene-2-carbonyl isothiocyanate
CID 2113413
[3-(3-carbazol-9-ylbenzoyl)phenyl]-(3-carbazol-9-ylphenyl)methanone
CID 58084752
6-(3-acetylphenyl)benzo[d][2]benzazepine-5,7-dione
CID 766014
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
3-(2,5-dihydroxypyrrol-1-yl)benzoic acid
CID 91932579
naphthalene-2-carboxylic acid
CID 175967775
naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone
CID 118315304
9-[3-[4-naphthalen-2-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177283132

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide?
The IUPAC name of N-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide (CID 154835094) is N-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide?
The canonical SMILES for N-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide is O=C(/N=N/C(=O)c1ccc2ccccc2c1)c1cccc(-n2c(O)c3ccccc3c2O)c1.
What is the InChIKey of N-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide?
The InChIKey is LCBUHJVSYZUPJP-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H17N3O4/c30-23(27-28-24(31)19-13-12-16-6-1-2-7-17(16)14-19)18-8-5-9-20(15-18)29-25(32)21-10-3-4-11-22(21)26(29)33/h1-15,32-33H/b28-27+.
What are the key properties of N-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide?
N-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide has a molecular weight of 435.44 g/mol, XLogP of 5.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminonaphthalene-2-carboxamide is sourced from PubChem (CID 154835094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).