2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide

C24H18Cl3N3O — CID 126059458

IUPAC2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(Cl)c1
InChIInChI=1S/C24H18Cl3N3O/c1-15-6-8-19(21(26)10-15)24(31)29-28-12-17-14-30(23-5-3-2-4-18(17)23)13-16-7-9-20(25)22(27)11-16/h2-12,14H,13H2,1H3,(H,29,31)/b28-12-
InChIKeyWQALZCNSBHDNCO-NVJOKUIPSA-N
MW470.79 g/mol
LogP6.72
Rot. Bonds5

About 2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide

2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide (PubChem CID 126059458) has the molecular formula C24H18Cl3N3O and a molecular weight of 470.79 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide
PubChem CID126059458
Molecular FormulaC24H18Cl3N3O
Molecular Weight470.79 g/mol
Exact Mass469.05
IUPAC Name2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(Cl)c1
InChIInChI=1S/C24H18Cl3N3O/c1-15-6-8-19(21(26)10-15)24(31)29-28-12-17-14-30(23-5-3-2-4-18(17)23)13-16-7-9-20(25)22(27)11-16/h2-12,14H,13H2,1H3,(H,29,31)/b28-12-
InChIKeyWQALZCNSBHDNCO-NVJOKUIPSA-N
XLogP6.72
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.79
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395139
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 5104656
4-chloro-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 21379735
4-acetamido-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 4535477
3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126274795
N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboxamide
CID 126004518
3,4-dichloro-N-[3-methyl-1-[2-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 4266198
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide
CID 19060958
3,4-dichloro-N-[3-methyl-1-[(2Z)-2-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 6090625
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 6887954
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143816
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]pyridin-4-amine
CID 21208933

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide (CID 126059458) is 2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide?
The InChIKey is WQALZCNSBHDNCO-NVJOKUIPSA-N. The full InChI is InChI=1S/C24H18Cl3N3O/c1-15-6-8-19(21(26)10-15)24(31)29-28-12-17-14-30(23-5-3-2-4-18(17)23)13-16-7-9-20(25)22(27)11-16/h2-12,14H,13H2,1H3,(H,29,31)/b28-12-.
What are the key properties of 2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide?
2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide has a molecular weight of 470.79 g/mol, XLogP of 6.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 126059458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).