methyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate

C19H15NO5 — CID 19877623

IUPACmethyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C19H15NO5/c1-25-19(23)14-8-6-13(7-9-14)18(22)20(24)16-11-10-12-4-2-3-5-15(12)17(16)21/h2-11,21,24H,1H3
InChIKeyRIBWAWOQCFJWSY-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.37
Rot. Bonds3

About methyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate

methyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate (PubChem CID 19877623) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is methyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate
PubChem CID19877623
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Namemethyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C19H15NO5/c1-25-19(23)14-8-6-13(7-9-14)18(22)20(24)16-11-10-12-4-2-3-5-15(12)17(16)21/h2-11,21,24H,1H3
InChIKeyRIBWAWOQCFJWSY-UHFFFAOYSA-N
XLogP3.37
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate
CID 19877638
methyl 2-[3-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]phenyl]acetate
CID 15728708
methyl 2-[2-[hydroxy-(1-hydroxynaphthalen-2-yl)amino]-2-oxoethyl]benzoate
CID 19877556
N-hydroxy-N-naphthalen-1-ylbenzamide
CID 12512835
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 2-[2-[hydroxy-(1-methoxynaphthalen-2-yl)carbamoyl]phenyl]acetate
CID 19877572
methyl 3-hydroxyphenanthrene-4-carboxylate
CID 89028786
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849
methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate
CID 46217309
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
2-(diethylamino)naphthalen-1-ol
CID 23323383

Frequently Asked Questions

What is the IUPAC name of methyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate (CID 19877623) is methyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)N(O)c2ccc3ccccc3c2O)cc1.
What is the InChIKey of methyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate?
The InChIKey is RIBWAWOQCFJWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-25-19(23)14-8-6-13(7-9-14)18(22)20(24)16-11-10-12-4-2-3-5-15(12)17(16)21/h2-11,21,24H,1H3.
What are the key properties of methyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate?
methyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate has a molecular weight of 337.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[hydroxy-(1-hydroxynaphthalen-2-yl)carbamoyl]benzoate is sourced from PubChem (CID 19877623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).