3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide

C25H31ClN2O — CID 42802283

IUPAC3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)CC(c1ccc(Cl)cc1)c1c[nH]c2c(CC)cccc12
InChIInChI=1S/C25H31ClN2O/c1-3-5-6-7-15-27-24(29)16-22(19-11-13-20(26)14-12-19)23-17-28-25-18(4-2)9-8-10-21(23)25/h8-14,17,22,28H,3-7,15-16H2,1-2H3,(H,27,29)
InChIKeyQDFDBDPPNFYPNI-UHFFFAOYSA-N
MW410.99 g/mol
LogP6.60
Rot. Bonds10

About 3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide

3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide (PubChem CID 42802283) has the molecular formula C25H31ClN2O and a molecular weight of 410.99 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
PubChem CID42802283
Molecular FormulaC25H31ClN2O
Molecular Weight410.99 g/mol
Exact Mass410.21
IUPAC Name3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)CC(c1ccc(Cl)cc1)c1c[nH]c2c(CC)cccc12
InChIInChI=1S/C25H31ClN2O/c1-3-5-6-7-15-27-24(29)16-22(19-11-13-20(26)14-12-19)23-17-28-25-18(4-2)9-8-10-21(23)25/h8-14,17,22,28H,3-7,15-16H2,1-2H3,(H,27,29)
InChIKeyQDFDBDPPNFYPNI-UHFFFAOYSA-N
XLogP6.60
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.99
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide 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

3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808770
3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide
CID 4150778
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
(3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93122197
(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 93125167
(3S)-N-butyl-3-(7-ethyl-1H-indol-3-yl)-3-(3-nitrophenyl)propanamide
CID 93123729
(3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93122210
3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 24718694
(3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93123792
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803855
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774604

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide (CID 42802283) is 3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide is CCCCCCNC(=O)CC(c1ccc(Cl)cc1)c1c[nH]c2c(CC)cccc12.
What is the InChIKey of 3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide?
The InChIKey is QDFDBDPPNFYPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O/c1-3-5-6-7-15-27-24(29)16-22(19-11-13-20(26)14-12-19)23-17-28-25-18(4-2)9-8-10-21(23)25/h8-14,17,22,28H,3-7,15-16H2,1-2H3,(H,27,29).
What are the key properties of 3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide?
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide has a molecular weight of 410.99 g/mol, XLogP of 6.60, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide is sourced from PubChem (CID 42802283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).