N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide

C25H21Cl2N3O2 — CID 17246263

IUPACN-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1
InChIInChI=1S/C25H21Cl2N3O2/c1-2-32-21-11-8-17(9-12-21)25(31)29-28-14-19-16-30(24-6-4-3-5-22(19)24)15-18-7-10-20(26)13-23(18)27/h3-14,16H,2,15H2,1H3,(H,29,31)/b28-14+
InChIKeyGVBVDTNCSFIOJG-CCVNUDIWSA-N
MW466.37 g/mol
LogP6.16
Rot. Bonds7

About N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide

N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide (PubChem CID 17246263) has the molecular formula C25H21Cl2N3O2 and a molecular weight of 466.37 g/mol. Its IUPAC name is N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide
PubChem CID17246263
Molecular FormulaC25H21Cl2N3O2
Molecular Weight466.37 g/mol
Exact Mass465.10
IUPAC NameN-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1
InChIInChI=1S/C25H21Cl2N3O2/c1-2-32-21-11-8-17(9-12-21)25(31)29-28-14-19-16-30(24-6-4-3-5-22(19)24)15-18-7-10-20(26)13-23(18)27/h3-14,16H,2,15H2,1H3,(H,29,31)/b28-14+
InChIKeyGVBVDTNCSFIOJG-CCVNUDIWSA-N
XLogP6.16
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126377852
N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 58523948
2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126149478
N-[(1-benzylindol-3-yl)methylideneamino]-4-butoxybenzamide
CID 3483141
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126365049
4-amino-N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 1360529
N-[(E)-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246357
4-chloro-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 21379735
ethyl N-[(1S)-3-[(2Z)-2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]carbamate
CID 126003342
1-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-nitroguanidine
CID 135495390
N-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
CID 5075051
ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
CID 6880922

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide (CID 17246263) is N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1.
What is the InChIKey of N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide?
The InChIKey is GVBVDTNCSFIOJG-CCVNUDIWSA-N. The full InChI is InChI=1S/C25H21Cl2N3O2/c1-2-32-21-11-8-17(9-12-21)25(31)29-28-14-19-16-30(24-6-4-3-5-22(19)24)15-18-7-10-20(26)13-23(18)27/h3-14,16H,2,15H2,1H3,(H,29,31)/b28-14+.
What are the key properties of N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide?
N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide has a molecular weight of 466.37 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 17246263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).