4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide

C22H15ClN4O3 — CID 4182686

IUPAC4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15ClN4O3/c23-15-9-5-13(6-10-15)20(28)24-16-11-7-14(8-12-16)21(29)27-26-19-17-3-1-2-4-18(17)25-22(19)30/h1-12,25,30H,(H,24,28)/b27-26+
InChIKeyNIZAPVGOCGHRKF-CYYJNZCTSA-N
MW418.84 g/mol
LogP5.70
Rot. Bonds4

About 4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide

4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide (PubChem CID 4182686) has the molecular formula C22H15ClN4O3 and a molecular weight of 418.84 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
PubChem CID4182686
Molecular FormulaC22H15ClN4O3
Molecular Weight418.84 g/mol
Exact Mass418.08
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15ClN4O3/c23-15-9-5-13(6-10-15)20(28)24-16-11-7-14(8-12-16)21(29)27-26-19-17-3-1-2-4-18(17)25-22(19)30/h1-12,25,30H,(H,24,28)/b27-26+
InChIKeyNIZAPVGOCGHRKF-CYYJNZCTSA-N
XLogP5.70
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.84
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide 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

N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
4-[[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]amino]benzoic acid
CID 3538856
N-[(2-hydroxy-1H-indol-3-yl)imino]pyridin-1-ium-4-carboxamide acetate
CID 135794083
1-(3,4-difluorophenyl)-3-[(2-hydroxy-1H-indol-3-yl)imino]urea
CID 169273498
2-N,5-N-bis[(2-hydroxy-1H-indol-3-yl)imino]pyridine-2,5-dicarboxamide
CID 171983173
N-[(7-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-chlorobenzamide
CID 1040030
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 749764
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 3249407
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 3733193

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide (CID 4182686) is 4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
The InChIKey is NIZAPVGOCGHRKF-CYYJNZCTSA-N. The full InChI is InChI=1S/C22H15ClN4O3/c23-15-9-5-13(6-10-15)20(28)24-16-11-7-14(8-12-16)21(29)27-26-19-17-3-1-2-4-18(17)25-22(19)30/h1-12,25,30H,(H,24,28)/b27-26+.
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide?
4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide has a molecular weight of 418.84 g/mol, XLogP of 5.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide is sourced from PubChem (CID 4182686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).