4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide

C21H21ClN2O2 — CID 55349212

IUPAC4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCCCn1ccc2ccccc21
InChIInChI=1S/C21H21ClN2O2/c22-18-8-6-17(7-9-18)20(25)10-11-21(26)23-13-3-14-24-15-12-16-4-1-2-5-19(16)24/h1-2,4-9,12,15H,3,10-11,13-14H2,(H,23,26)
InChIKeyWVZPHWVZBRFYFY-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.46
Rot. Bonds8

About 4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide

4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide (PubChem CID 55349212) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide
PubChem CID55349212
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCCCn1ccc2ccccc21
InChIInChI=1S/C21H21ClN2O2/c22-18-8-6-17(7-9-18)20(25)10-11-21(26)23-13-3-14-24-15-12-16-4-1-2-5-19(16)24/h1-2,4-9,12,15H,3,10-11,13-14H2,(H,23,26)
InChIKeyWVZPHWVZBRFYFY-UHFFFAOYSA-N
XLogP4.46
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide 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-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide
CID 55649511
4-(4-chlorophenoxy)-N-(2-indol-1-ylethyl)butanamide
CID 108750586
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
CID 24554706
4-fluoro-N-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]benzamide
CID 51165310
N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84556804
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(3-indol-1-ylpropyl)propanamide
CID 24554014
4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
CID 134039930
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
3-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)pyrazolidine-4-carboxamide
CID 52976185

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide (CID 55349212) is 4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)NCCCn1ccc2ccccc21.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide?
The InChIKey is WVZPHWVZBRFYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-18-8-6-17(7-9-18)20(25)10-11-21(26)23-13-3-14-24-15-12-16-4-1-2-5-19(16)24/h1-2,4-9,12,15H,3,10-11,13-14H2,(H,23,26).
What are the key properties of 4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide?
4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide has a molecular weight of 368.86 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3-indol-1-ylpropyl)-4-oxobutanamide is sourced from PubChem (CID 55349212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).