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

C19H14Cl2N4O — CID 6883517

IUPAC2-cyano-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12
InChIInChI=1S/C19H14Cl2N4O/c20-16-6-5-13(9-17(16)21)11-25-12-14(10-23-24-19(26)7-8-22)15-3-1-2-4-18(15)25/h1-6,9-10,12H,7,11H2,(H,24,26)/b23-10+
InChIKeyAHVFEHJDCPIOGU-AUEPDCJTSA-N
MW385.25 g/mol
LogP4.36
Rot. Bonds5

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

2-cyano-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide (PubChem CID 6883517) has the molecular formula C19H14Cl2N4O and a molecular weight of 385.25 g/mol. Its IUPAC name is 2-cyano-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
PubChem CID6883517
Molecular FormulaC19H14Cl2N4O
Molecular Weight385.25 g/mol
Exact Mass384.05
IUPAC Name2-cyano-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
SMILESN#CCC(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12
InChIInChI=1S/C19H14Cl2N4O/c20-16-6-5-13(9-17(16)21)11-25-12-14(10-23-24-19(26)7-8-22)15-3-1-2-4-18(15)25/h1-6,9-10,12H,7,11H2,(H,24,26)/b23-10+
InChIKeyAHVFEHJDCPIOGU-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide (CID 6883517) is 2-cyano-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide is N#CCC(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12.
What is the InChIKey of 2-cyano-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
The InChIKey is AHVFEHJDCPIOGU-AUEPDCJTSA-N. The full InChI is InChI=1S/C19H14Cl2N4O/c20-16-6-5-13(9-17(16)21)11-25-12-14(10-23-24-19(26)7-8-22)15-3-1-2-4-18(15)25/h1-6,9-10,12H,7,11H2,(H,24,26)/b23-10+.
What are the key properties of 2-cyano-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
2-cyano-N-[(E)-[1-[(3,4-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-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide is sourced from PubChem (CID 6883517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).