2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid

C19H14N2O5 — CID 969323

IUPAC2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
SMILESO=C(NNC(=O)c1ccccc1C(=O)O)c1cc2ccccc2cc1O
InChIInChI=1S/C19H14N2O5/c22-16-10-12-6-2-1-5-11(12)9-15(16)18(24)21-20-17(23)13-7-3-4-8-14(13)19(25)26/h1-10,22H,(H,20,23)(H,21,24)(H,25,26)
InChIKeyBKKNRNLYIGKPAY-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.32
Rot. Bonds3

About 2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid

2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid (PubChem CID 969323) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
PubChem CID969323
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
SMILESO=C(NNC(=O)c1ccccc1C(=O)O)c1cc2ccccc2cc1O
InChIInChI=1S/C19H14N2O5/c22-16-10-12-6-2-1-5-11(12)9-15(16)18(24)21-20-17(23)13-7-3-4-8-14(13)19(25)26/h1-10,22H,(H,20,23)(H,21,24)(H,25,26)
InChIKeyBKKNRNLYIGKPAY-UHFFFAOYSA-N
XLogP2.32
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid 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

CID 69256301
CID 69256301
3-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 806093
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
4-[2-(3-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanoate
CID 7034789
1-(4-bromophenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]urea
CID 24819542
N'-[2-(4-fluorophenyl)acetyl]-3-hydroxynaphthalene-2-carbohydrazide
CID 31725615
N'-butyl-3-hydroxynaphthalene-2-carbohydrazide
CID 118418396
naphthalene;phthalic acid
CID 158069637
benzene-1,2-diol;phthalic acid
CID 160861167
CID 66717184
CID 66717184
N'-(3-hydroxynaphthalene-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 43016628
1-[(3-hydroxynaphthalene-2-carbonyl)amino]-3-prop-2-enylthiourea
CID 3964823

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid?
The IUPAC name of 2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid (CID 969323) is 2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid is O=C(NNC(=O)c1ccccc1C(=O)O)c1cc2ccccc2cc1O.
What is the InChIKey of 2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid?
The InChIKey is BKKNRNLYIGKPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c22-16-10-12-6-2-1-5-11(12)9-15(16)18(24)21-20-17(23)13-7-3-4-8-14(13)19(25)26/h1-10,22H,(H,20,23)(H,21,24)(H,25,26).
What are the key properties of 2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid?
2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid has a molecular weight of 350.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid is sourced from PubChem (CID 969323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).