6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid

C19H15NO4 — CID 23118707

IUPAC6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid
SMILESCOc1cc2ccc(C(=O)O)cc2cc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H15NO4/c1-24-17-11-12-7-8-13(19(22)23)9-14(12)10-16(17)18(21)20-15-5-3-2-4-6-15/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyPRNPWIZTYFRPEM-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.80
Rot. Bonds4

About 6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid

6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid (PubChem CID 23118707) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid
PubChem CID23118707
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid
SMILESCOc1cc2ccc(C(=O)O)cc2cc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H15NO4/c1-24-17-11-12-7-8-13(19(22)23)9-14(12)10-16(17)18(21)20-15-5-3-2-4-6-15/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyPRNPWIZTYFRPEM-UHFFFAOYSA-N
XLogP3.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(phenylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 2268765
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1378947
N-(3-fluorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 802408
propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 2292301
N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17439182
butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 43909390
3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 9071032
4-bromo-3-[(3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoic acid
CID 91673634
N-(3-benzamidophenyl)-2,4,5-trimethoxybenzamide
CID 55797225
3-methoxynaphthalene-2,7-dicarboxamide
CID 23118701
4-methoxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 141401916

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid?
The IUPAC name of 6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid (CID 23118707) is 6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid is COc1cc2ccc(C(=O)O)cc2cc1C(=O)Nc1ccccc1.
What is the InChIKey of 6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid?
The InChIKey is PRNPWIZTYFRPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-24-17-11-12-7-8-13(19(22)23)9-14(12)10-16(17)18(21)20-15-5-3-2-4-6-15/h2-11H,1H3,(H,20,21)(H,22,23).
What are the key properties of 6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid?
6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid has a molecular weight of 321.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 23118707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).