4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide

C23H18ClN3O2 — CID 135559819

IUPAC4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(/N=C2\C(=O)Nc3c(C)ccc(Cl)c32)cc1
InChIInChI=1S/C23H18ClN3O2/c1-13-5-3-4-6-18(13)26-22(28)15-8-10-16(11-9-15)25-21-19-17(24)12-7-14(2)20(19)27-23(21)29/h3-12H,1-2H3,(H,26,28)(H,25,27,29)
InChIKeyCAGROCJFYNAQLT-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.28
Rot. Bonds3

About 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide

4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide (PubChem CID 135559819) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide
PubChem CID135559819
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(/N=C2\C(=O)Nc3c(C)ccc(Cl)c32)cc1
InChIInChI=1S/C23H18ClN3O2/c1-13-5-3-4-6-18(13)26-22(28)15-8-10-16(11-9-15)25-21-19-17(24)12-7-14(2)20(19)27-23(21)29/h3-12H,1-2H3,(H,26,28)(H,25,27,29)
InChIKeyCAGROCJFYNAQLT-UHFFFAOYSA-N
XLogP5.28
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide
CID 135559471
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
4-[[2-[(3,4-dichlorophenyl)methyl]-1,3-dioxolan-2-yl]methyl]-N-(2-methylphenyl)benzamide
CID 59121252
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
4-[3-(3,4-dichlorophenyl)-2-methylpropyl]-N-(2-methylphenyl)benzamide
CID 59121264
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104
N-(2-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261390
4-ethenyl-N-(2-methylphenyl)benzamide
CID 12541509
4-[4-(3,4-dichlorophenyl)but-2-en-2-yl]-N-(2-methylphenyl)benzamide
CID 72522754

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide (CID 135559819) is 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1ccc(/N=C2\C(=O)Nc3c(C)ccc(Cl)c32)cc1.
What is the InChIKey of 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide?
The InChIKey is CAGROCJFYNAQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-13-5-3-4-6-18(13)26-22(28)15-8-10-16(11-9-15)25-21-19-17(24)12-7-14(2)20(19)27-23(21)29/h3-12H,1-2H3,(H,26,28)(H,25,27,29).
What are the key properties of 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide?
4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide has a molecular weight of 403.87 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-7-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 135559819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).