2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid

C19H13NO5 — CID 163959565

IUPAC2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc3ccccc3c2C(=O)O)c1
InChIInChI=1S/C19H13NO5/c21-17(20-13-6-3-5-12(10-13)18(22)23)15-9-8-11-4-1-2-7-14(11)16(15)19(24)25/h1-10H,(H,20,21)(H,22,23)(H,24,25)
InChIKeySGHTXYVLBGNBES-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.49
Rot. Bonds4

About 2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid

2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid (PubChem CID 163959565) has the molecular formula C19H13NO5 and a molecular weight of 335.32 g/mol. Its IUPAC name is 2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid
PubChem CID163959565
Molecular FormulaC19H13NO5
Molecular Weight335.32 g/mol
Exact Mass335.08
IUPAC Name2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc(NC(=O)c2ccc3ccccc3c2C(=O)O)c1
InChIInChI=1S/C19H13NO5/c21-17(20-13-6-3-5-12(10-13)18(22)23)15-9-8-11-4-1-2-7-14(11)16(15)19(24)25/h1-10H,(H,20,21)(H,22,23)(H,24,25)
InChIKeySGHTXYVLBGNBES-UHFFFAOYSA-N
XLogP3.49
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzene-1,3-dicarboxylic acid;naphthalene-1,2-dicarboxylic acid;terephthalic acid
CID 157108272
3-[(2-carbamoylbenzoyl)amino]benzoic acid
CID 4607393
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
5-[3-carboxy-4-[(3-carboxyphenyl)carbamoyl]phenyl]-2-[(3-carboxyphenyl)carbamoyl]benzoic acid
CID 22629828
naphthalene-1,2-dicarboxylic acid;hydrochloride
CID 67387751
3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 679194
3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674682
hydrazine;naphthalene-1,2-dicarboxylic acid
CID 19968700
4-(phenylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 21240166
tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate
CID 163647049
6-(phenylcarbamoyl)benzene-1,2,4-tricarboxylic acid
CID 54546942
3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 60657143

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid?
The IUPAC name of 2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid (CID 163959565) is 2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid?
The canonical SMILES for 2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid is O=C(O)c1cccc(NC(=O)c2ccc3ccccc3c2C(=O)O)c1.
What is the InChIKey of 2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid?
The InChIKey is SGHTXYVLBGNBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO5/c21-17(20-13-6-3-5-12(10-13)18(22)23)15-9-8-11-4-1-2-7-14(11)16(15)19(24)25/h1-10H,(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid?
2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid has a molecular weight of 335.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carboxyphenyl)carbamoyl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 163959565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).