[4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate

C24H16ClN3O3 — CID 5230810

IUPAC[4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate
SMILESO=C(ONc1ccc(/N=N/C(=O)c2ccccc2Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H16ClN3O3/c25-22-8-4-3-7-21(22)23(29)27-26-19-11-13-20(14-12-19)28-31-24(30)18-10-9-16-5-1-2-6-17(16)15-18/h1-15,28H/b27-26+
InChIKeyHYXKPNKXWAMEBL-CYYJNZCTSA-N
MW429.86 g/mol
LogP6.60
Rot. Bonds5

About [4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate

[4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate (PubChem CID 5230810) has the molecular formula C24H16ClN3O3 and a molecular weight of 429.86 g/mol. Its IUPAC name is [4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate
PubChem CID5230810
Molecular FormulaC24H16ClN3O3
Molecular Weight429.86 g/mol
Exact Mass429.09
IUPAC Name[4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate
SMILESO=C(ONc1ccc(/N=N/C(=O)c2ccccc2Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H16ClN3O3/c25-22-8-4-3-7-21(22)23(29)27-26-19-11-13-20(14-12-19)28-31-24(30)18-10-9-16-5-1-2-6-17(16)15-18/h1-15,28H/b27-26+
InChIKeyHYXKPNKXWAMEBL-CYYJNZCTSA-N
XLogP6.60
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.86
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3-hydroxynaphthalene-2-carbonyl)diazenyl]anilino] 4-chlorobenzoate
CID 5117471
[4-[(2-bromobenzoyl)diazenyl]anilino] 3-methoxybenzoate
CID 4659122
[4-[(4-chlorobenzoyl)diazenyl]anilino] 3,4-dimethoxybenzoate
CID 5230149
[4-[(3-chlorobenzoyl)diazenyl]anilino] 3,4-dimethoxybenzoate
CID 5230468
[4-[(3,5-dihydroxybenzoyl)diazenyl]anilino] 3,4-dimethoxybenzoate
CID 5088307
[4-[(4-nitrobenzoyl)diazenyl]anilino] benzoate
CID 4659249
[4-[(2-naphthalen-1-ylacetyl)diazenyl]anilino] 4-nitrobenzoate
CID 3534946
(naphthalen-2-ylamino) 2-aminobenzoate
CID 175356662
[(2,3-dioxoaziridin-1-yl)amino] naphthalene-2-carboxylate
CID 139908605
ethane;methyl naphthalene-2-carboxylate
CID 143895262
(3,4-dichlorophenyl) naphthalene-2-carboxylate
CID 7959552
(4-nitrosoanilino) 3-methoxybenzoate
CID 5228983

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate?
The IUPAC name of [4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate (CID 5230810) is [4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate.
What is the SMILES notation for [4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate?
The canonical SMILES for [4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate is O=C(ONc1ccc(/N=N/C(=O)c2ccccc2Cl)cc1)c1ccc2ccccc2c1.
What is the InChIKey of [4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate?
The InChIKey is HYXKPNKXWAMEBL-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H16ClN3O3/c25-22-8-4-3-7-21(22)23(29)27-26-19-11-13-20(14-12-19)28-31-24(30)18-10-9-16-5-1-2-6-17(16)15-18/h1-15,28H/b27-26+.
What are the key properties of [4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate?
[4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate has a molecular weight of 429.86 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorobenzoyl)diazenyl]anilino] naphthalene-2-carboxylate is sourced from PubChem (CID 5230810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).