3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate

C24H14N2O6-4 — CID 102515679

IUPAC3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate
SMILESO=C(Nc1cccc2c(NC(=O)c3cccc([O-])c3[O-])cccc12)c1cccc([O-])c1[O-]
InChIInChI=1S/C24H18N2O6/c27-19-11-3-7-15(21(19)29)23(31)25-17-9-1-5-13-14(17)6-2-10-18(13)26-24(32)16-8-4-12-20(28)22(16)30/h1-12,27-30H,(H,25,31)(H,26,32)/p-4
InChIKeyZOVBXODDIPCFJM-UHFFFAOYSA-J
MW426.38 g/mol
LogP1.64
Rot. Bonds4

About 3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate

3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate (PubChem CID 102515679) has the molecular formula C24H14N2O6-4 and a molecular weight of 426.38 g/mol. Its IUPAC name is 3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate.

Molecular Properties

Compound Name3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate
PubChem CID102515679
Molecular FormulaC24H14N2O6-4
Molecular Weight426.38 g/mol
Exact Mass426.09
IUPAC Name3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate
SMILESO=C(Nc1cccc2c(NC(=O)c3cccc([O-])c3[O-])cccc12)c1cccc([O-])c1[O-]
InChIInChI=1S/C24H18N2O6/c27-19-11-3-7-15(21(19)29)23(31)25-17-9-1-5-13-14(17)6-2-10-18(13)26-24(32)16-8-4-12-20(28)22(16)30/h1-12,27-30H,(H,25,31)(H,26,32)/p-4
InChIKeyZOVBXODDIPCFJM-UHFFFAOYSA-J
XLogP1.64
TPSA150.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
N-[5-(pyridine-4-carbonylamino)naphthalen-1-yl]pyridine-4-carboxamide
CID 101437440
2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
2-chloro-N-[5-[(2-chlorobenzoyl)amino]-9,10-dihydroxyanthracen-1-yl]benzamide
CID 100999874
N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752
3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid
CID 71396226
2-fluoro-3-methyl-N-naphthalen-1-ylbenzamide
CID 80710420
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
2-N-naphthalen-1-yl-1-N-(4-nitrophenyl)benzene-1,2-dicarboxamide
CID 6610544
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
3-hydroxy-N-naphthalen-1-ylpyridine-4-carboxamide
CID 81443161
2,4-diamino-N-naphthalen-1-ylpyrimidine-5-carboxamide
CID 122214609

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate?
The IUPAC name of 3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate (CID 102515679) is 3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate.
What is the SMILES notation for 3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate?
The canonical SMILES for 3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate is O=C(Nc1cccc2c(NC(=O)c3cccc([O-])c3[O-])cccc12)c1cccc([O-])c1[O-].
What is the InChIKey of 3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate?
The InChIKey is ZOVBXODDIPCFJM-UHFFFAOYSA-J. The full InChI is InChI=1S/C24H18N2O6/c27-19-11-3-7-15(21(19)29)23(31)25-17-9-1-5-13-14(17)6-2-10-18(13)26-24(32)16-8-4-12-20(28)22(16)30/h1-12,27-30H,(H,25,31)(H,26,32)/p-4.
What are the key properties of 3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate?
3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate has a molecular weight of 426.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(2,3-dioxidobenzoyl)amino]naphthalen-1-yl]carbamoyl]benzene-1,2-diolate is sourced from PubChem (CID 102515679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).