4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide

C17H14ClN3O3 — CID 4625007

IUPAC4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide
SMILESO=C(NCCn1ccc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H14ClN3O3/c18-14-6-5-13(11-16(14)21(23)24)17(22)19-8-10-20-9-7-12-3-1-2-4-15(12)20/h1-7,9,11H,8,10H2,(H,19,22)
InChIKeyGILZMWBFQAZZAT-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.63
Rot. Bonds5

About 4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide

4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide (PubChem CID 4625007) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide
PubChem CID4625007
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide
SMILESO=C(NCCn1ccc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H14ClN3O3/c18-14-6-5-13(11-16(14)21(23)24)17(22)19-8-10-20-9-7-12-3-1-2-4-15(12)20/h1-7,9,11H,8,10H2,(H,19,22)
InChIKeyGILZMWBFQAZZAT-UHFFFAOYSA-N
XLogP3.63
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide 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

4-chloro-N-[2-(2-methylindol-1-yl)ethyl]-3-nitrobenzamide
CID 4080837
4-chloro-3-nitro-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
CID 90588939
4-chloro-3-nitro-N-(2-pyrazol-1-ylethyl)benzamide
CID 61462881
4-chloro-N-[3-[(4-chloro-3-nitrobenzoyl)amino]propyl]-3-nitrobenzamide
CID 4981185
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
4-chloro-3-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19281902
3-[(4-chloro-3-nitrobenzoyl)amino]propanoic acid
CID 60657227
4-chloro-N-(5-hydroxypentyl)-3-nitrobenzamide
CID 107317151
4-chloro-N-(3-hydroxy-3-phenylpropyl)-3-nitrobenzamide
CID 90499571
N-(5-amino-5-oxopentyl)-4-chloro-3-nitrobenzamide
CID 106235410
N-(2-indol-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 71703482
4-chloro-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide
CID 51232675

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide (CID 4625007) is 4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide is O=C(NCCn1ccc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide?
The InChIKey is GILZMWBFQAZZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-14-6-5-13(11-16(14)21(23)24)17(22)19-8-10-20-9-7-12-3-1-2-4-15(12)20/h1-7,9,11H,8,10H2,(H,19,22).
What are the key properties of 4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide?
4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide has a molecular weight of 343.77 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-indol-1-ylethyl)-3-nitrobenzamide is sourced from PubChem (CID 4625007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).