4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid

C24H18N2O3 — CID 155204519

IUPAC4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid
SMILESNc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)c4ccccc34)cc2)cc1
InChIInChI=1S/C24H18N2O3/c25-18-11-9-16(10-12-18)15-5-7-17(8-6-15)23(27)26-22-14-13-21(24(28)29)19-3-1-2-4-20(19)22/h1-14H,25H2,(H,26,27)(H,28,29)
InChIKeyVFRUNCVWUWIMAH-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.04
Rot. Bonds4

About 4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid

4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid (PubChem CID 155204519) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid
PubChem CID155204519
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid
SMILESNc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)c4ccccc34)cc2)cc1
InChIInChI=1S/C24H18N2O3/c25-18-11-9-16(10-12-18)15-5-7-17(8-6-15)23(27)26-22-14-13-21(24(28)29)19-3-1-2-4-20(19)22/h1-14H,25H2,(H,26,27)(H,28,29)
InChIKeyVFRUNCVWUWIMAH-UHFFFAOYSA-N
XLogP5.04
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid?
The IUPAC name of 4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid (CID 155204519) is 4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid?
The canonical SMILES for 4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid is Nc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)O)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid?
The InChIKey is VFRUNCVWUWIMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c25-18-11-9-16(10-12-18)15-5-7-17(8-6-15)23(27)26-22-14-13-21(24(28)29)19-3-1-2-4-20(19)22/h1-14H,25H2,(H,26,27)(H,28,29).
What are the key properties of 4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid?
4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 5.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid is sourced from PubChem (CID 155204519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).