N-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide

C19H17ClN4O2 — CID 135401374

IUPACN-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C19H17ClN4O2/c20-15-6-2-4-8-17(15)23-18(25)9-10-19(26)24-22-12-13-11-21-16-7-3-1-5-14(13)16/h1-8,11-12,21H,9-10H2,(H,23,25)(H,24,26)/b22-12+
InChIKeyDXDBYMGKDVAENI-WSDLNYQXSA-N
MW368.82 g/mol
LogP3.69
Rot. Bonds6

About N-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide

N-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide (PubChem CID 135401374) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide
PubChem CID135401374
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1Cl)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C19H17ClN4O2/c20-15-6-2-4-8-17(15)23-18(25)9-10-19(26)24-22-12-13-11-21-16-7-3-1-5-14(13)16/h1-8,11-12,21H,9-10H2,(H,23,25)(H,24,26)/b22-12+
InChIKeyDXDBYMGKDVAENI-WSDLNYQXSA-N
XLogP3.69
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.69
H-Bond Donors ≤ 53
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'}

Analyze N-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide 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 N-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide (CID 135401374) is N-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide is O=C(CCC(=O)Nc1ccccc1Cl)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of N-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide?
The InChIKey is DXDBYMGKDVAENI-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-15-6-2-4-8-17(15)23-18(25)9-10-19(26)24-22-12-13-11-21-16-7-3-1-5-14(13)16/h1-8,11-12,21H,9-10H2,(H,23,25)(H,24,26)/b22-12+.
What are the key properties of N-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide?
N-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide has a molecular weight of 368.82 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]butanediamide is sourced from PubChem (CID 135401374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).