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

C19H14Cl2N4O — CID 6883666

IUPAC2-cyano-N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C19H14Cl2N4O/c20-15-6-5-13(17(21)9-15)11-25-12-14(10-23-24-19(26)7-8-22)16-3-1-2-4-18(16)25/h1-6,9-10,12H,7,11H2,(H,24,26)/b23-10+
InChIKeyRNDMKHJDCHZBDY-AUEPDCJTSA-N
MW385.25 g/mol
LogP4.36
Rot. Bonds5

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

2-cyano-N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide (PubChem CID 6883666) has the molecular formula C19H14Cl2N4O and a molecular weight of 385.25 g/mol. Its IUPAC name is 2-cyano-N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
PubChem CID6883666
Molecular FormulaC19H14Cl2N4O
Molecular Weight385.25 g/mol
Exact Mass384.05
IUPAC Name2-cyano-N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C19H14Cl2N4O/c20-15-6-5-13(17(21)9-15)11-25-12-14(10-23-24-19(26)7-8-22)16-3-1-2-4-18(16)25/h1-6,9-10,12H,7,11H2,(H,24,26)/b23-10+
InChIKeyRNDMKHJDCHZBDY-AUEPDCJTSA-N
XLogP4.36
TPSA70.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 54.36
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'}

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

6-(4-Chlorophenyl)-4,5-dihydro-4-(1H-indol-3-yl)-3(2H)-pyridazinone
CID 2963062
4-Chloro-N'-[(E)-1H-indol-3-ylmethylidene]benzohydrazide
CID 135569038
2-cyano-N'-{(E)-[1-(naphthalen-1-ylmethyl)-1H-indol-3-yl]methylidene}acetohydrazide
CID 6883466
2-cyano-N'-{(E)-[1-(3,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}acetohydrazide
CID 6883517
2-cyano-N-[(E)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 6884595
N-(4-chlorobenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 16019089
methyl (2E)-2-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylidene}hydrazinecarboxylate
CID 6864443
methyl (2E)-2-{[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}hydrazinecarboxylate
CID 6880796
4-[[1-[(2-Chlorophenyl)methyl]indol-3-yl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 3154666
methyl (2E)-2-{[1-(2,6-dichlorobenzyl)-1H-indol-3-yl]methylidene}hydrazinecarboxylate
CID 6882803
2-cyano-N'-{(E)-[1-(naphthalen-2-ylmethyl)-1H-indol-3-yl]methylidene}acetohydrazide
CID 6883562
N-(2-chlorophenyl)-4-[2-(1H-indol-3-ylmethylene)hydrazino]-4-oxobutanamide
CID 135401374

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide (CID 6883666) is 2-cyano-N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide is N#CCC(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of 2-cyano-N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
The InChIKey is RNDMKHJDCHZBDY-AUEPDCJTSA-N. The full InChI is InChI=1S/C19H14Cl2N4O/c20-15-6-5-13(17(21)9-15)11-25-12-14(10-23-24-19(26)7-8-22)16-3-1-2-4-18(16)25/h1-6,9-10,12H,7,11H2,(H,24,26)/b23-10+.
What are the key properties of 2-cyano-N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
2-cyano-N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide has a molecular weight of 385.25 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide is sourced from PubChem (CID 6883666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).