2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid

C19H15NO4 — CID 10591844

IUPAC2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)Nc1c(O)ccc2ccccc12
InChIInChI=1S/C19H15NO4/c21-16-10-9-12-5-1-3-7-14(12)18(16)20-17(22)11-13-6-2-4-8-15(13)19(23)24/h1-10,21H,11H2,(H,20,22)(H,23,24)
InChIKeyFRYYHMVHFIXNRS-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.42
Rot. Bonds4

About 2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid

2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid (PubChem CID 10591844) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid
PubChem CID10591844
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid
SMILESO=C(Cc1ccccc1C(=O)O)Nc1c(O)ccc2ccccc12
InChIInChI=1S/C19H15NO4/c21-16-10-9-12-5-1-3-7-14(12)18(16)20-17(22)11-13-6-2-4-8-15(13)19(23)24/h1-10,21H,11H2,(H,20,22)(H,23,24)
InChIKeyFRYYHMVHFIXNRS-UHFFFAOYSA-N
XLogP3.42
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.42
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

2-(2,6-dichlorophenyl)-N-(2-hydroxynaphthalen-1-yl)acetamide
CID 8797412
2-[2-(2,6-dibromoanilino)-2-oxoethyl]benzoic acid
CID 107596792
2-[2-[(3-methylquinolin-4-yl)amino]-2-oxoethyl]benzoic acid
CID 10471239
2-[2-(isoquinolin-8-ylamino)-2-oxoethyl]benzoic acid
CID 11779892
2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid
CID 12558883
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601339
2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzoic acid
CID 113431532
2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid
CID 10729737
3,4-dihydroxyphthalic acid;naphthalene-1,2-diol
CID 70365447
1-(methanesulfonamido)naphthalene-2-carboxylic acid
CID 151146757
2-hydroxybenzoic acid;2-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-1-ol
CID 175235965
2-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzoate
CID 2405590

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid (CID 10591844) is 2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid is O=C(Cc1ccccc1C(=O)O)Nc1c(O)ccc2ccccc12.
What is the InChIKey of 2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid?
The InChIKey is FRYYHMVHFIXNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c21-16-10-9-12-5-1-3-7-14(12)18(16)20-17(22)11-13-6-2-4-8-15(13)19(23)24/h1-10,21H,11H2,(H,20,22)(H,23,24).
What are the key properties of 2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid?
2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid has a molecular weight of 321.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 10591844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).