4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid

C18H13NO4 — CID 108753992

IUPAC4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C18H13NO4/c20-16-9-8-12(18(22)23)10-15(16)19-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,20H,(H,19,21)(H,22,23)
InChIKeyOOZASNNHINFNSK-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.50
Rot. Bonds3

About 4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid

4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid (PubChem CID 108753992) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid
PubChem CID108753992
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C18H13NO4/c20-16-9-8-12(18(22)23)10-15(16)19-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,20H,(H,19,21)(H,22,23)
InChIKeyOOZASNNHINFNSK-UHFFFAOYSA-N
XLogP3.50
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
3-[(2-benzoylbenzoyl)amino]-4-hydroxybenzoic acid
CID 108753900
3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264731
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide
CID 46652299
2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid
CID 160883730
3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid
CID 9182555
5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid
CID 10090515
3-[[3-(1,3-dihydrobenzo[f][1,3]benzoxazin-2-yl)benzoyl]amino]-4-hydroxybenzoic acid
CID 108753917
4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107670939
2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752
ethane;5-methyl-2-(naphthalene-1-carbonylamino)benzoic acid
CID 143144416

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid?
The IUPAC name of 4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid (CID 108753992) is 4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid.
What is the SMILES notation for 4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid?
The canonical SMILES for 4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid is O=C(O)c1ccc(O)c(NC(=O)c2cccc3ccccc23)c1.
What is the InChIKey of 4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid?
The InChIKey is OOZASNNHINFNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c20-16-9-8-12(18(22)23)10-15(16)19-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,20H,(H,19,21)(H,22,23).
What are the key properties of 4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid?
4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid has a molecular weight of 307.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid is sourced from PubChem (CID 108753992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).