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

C19H15NO4 — CID 28668454

IUPAC4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C19H15NO4/c1-24-17-10-9-13(19(22)23)11-16(17)20-18(21)15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyPYUBUCGYPWIFGA-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.80
Rot. Bonds4

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

4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid (PubChem CID 28668454) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
PubChem CID28668454
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C19H15NO4/c1-24-17-10-9-13(19(22)23)11-16(17)20-18(21)15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3,(H,20,21)(H,22,23)
InChIKeyPYUBUCGYPWIFGA-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

3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 28668842
4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 108753992
4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 53269765
3-[(2,3-dimethoxybenzoyl)amino]-4-propan-2-yloxybenzoic acid
CID 119196298
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910
N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 34636649
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]naphthalene-1-carboxamide
CID 4801217
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid
CID 81440136
N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide
CID 110860308

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid?
The IUPAC name of 4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid (CID 28668454) is 4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid?
The canonical SMILES for 4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid is COc1ccc(C(=O)O)cc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of 4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid?
The InChIKey is PYUBUCGYPWIFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-24-17-10-9-13(19(22)23)11-16(17)20-18(21)15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid?
4-methoxy-3-(naphthalene-1-carbonylamino)benzoic 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 4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid is sourced from PubChem (CID 28668454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).