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

C22H16ClN3O2 — CID 135559471

IUPAC4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4c(Cl)cccc43)cc2)cc1
InChIInChI=1S/C22H16ClN3O2/c1-13-5-9-16(10-6-13)25-21(27)14-7-11-15(12-8-14)24-20-17-3-2-4-18(23)19(17)26-22(20)28/h2-12H,1H3,(H,25,27)(H,24,26,28)
InChIKeyPOGDOHHCHQBKRQ-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.97
Rot. Bonds3

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

4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide (PubChem CID 135559471) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide
PubChem CID135559471
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4c(Cl)cccc43)cc2)cc1
InChIInChI=1S/C22H16ClN3O2/c1-13-5-9-16(10-6-13)25-21(27)14-7-11-15(12-8-14)24-20-17-3-2-4-18(23)19(17)26-22(20)28/h2-12H,1H3,(H,25,27)(H,24,26,28)
InChIKeyPOGDOHHCHQBKRQ-UHFFFAOYSA-N
XLogP4.97
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.97
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-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide
CID 135559242
4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid
CID 135476347
4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
CID 137226402
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
1-(4-chlorophenyl)-3-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]urea
CID 135995905
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
7-chloro-1H-indole-2,3-dione
CID 139078100
4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide
CID 2226714
4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide
CID 135832490
1-hydroxy-3-(4-methylphenyl)imino-N-phenylindene-2-carboxamide
CID 135879308
3-chloro-N-(4-methylphenyl)benzamide
CID 722375

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide (CID 135559471) is 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(/N=C3\C(=O)Nc4c(Cl)cccc43)cc2)cc1.
What is the InChIKey of 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide?
The InChIKey is POGDOHHCHQBKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c1-13-5-9-16(10-6-13)25-21(27)14-7-11-15(12-8-14)24-20-17-3-2-4-18(23)19(17)26-22(20)28/h2-12H,1H3,(H,25,27)(H,24,26,28).
What are the key properties of 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide?
4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide has a molecular weight of 389.84 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 135559471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).