5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide

C16H11Cl2N3O — CID 13414684

IUPAC5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1Cl)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H11Cl2N3O/c17-12-5-6-14-11(7-12)8-15(20-14)16(22)21-19-9-10-3-1-2-4-13(10)18/h1-9,20H,(H,21,22)/b19-9+
InChIKeyDIBGHSQKYJJWBD-DJKKODMXSA-N
MW332.19 g/mol
LogP4.24
Rot. Bonds3

About 5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide

5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide (PubChem CID 13414684) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is 5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide
PubChem CID13414684
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1Cl)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H11Cl2N3O/c17-12-5-6-14-11(7-12)8-15(20-14)16(22)21-19-9-10-3-1-2-4-13(10)18/h1-9,20H,(H,21,22)/b19-9+
InChIKeyDIBGHSQKYJJWBD-DJKKODMXSA-N
XLogP4.24
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide (CID 13414684) is 5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide is O=C(N/N=C/c1ccccc1Cl)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide?
The InChIKey is DIBGHSQKYJJWBD-DJKKODMXSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-12-5-6-14-11(7-12)8-15(20-14)16(22)21-19-9-10-3-1-2-4-13(10)18/h1-9,20H,(H,21,22)/b19-9+.
What are the key properties of 5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide?
5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide has a molecular weight of 332.19 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide is sourced from PubChem (CID 13414684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).