3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide

C21H23ClN2O2 — CID 42803966

IUPAC3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CC(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C21H23ClN2O2/c1-26-12-6-11-23-21(25)13-17(15-7-2-4-9-19(15)22)18-14-24-20-10-5-3-8-16(18)20/h2-5,7-10,14,17,24H,6,11-13H2,1H3,(H,23,25)
InChIKeyQLSFTUPFASFMNX-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.50
Rot. Bonds8

About 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide

3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide (PubChem CID 42803966) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
PubChem CID42803966
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CC(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C21H23ClN2O2/c1-26-12-6-11-23-21(25)13-17(15-7-2-4-9-19(15)22)18-14-24-20-10-5-3-8-16(18)20/h2-5,7-10,14,17,24H,6,11-13H2,1H3,(H,23,25)
InChIKeyQLSFTUPFASFMNX-UHFFFAOYSA-N
XLogP4.50
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808761
3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803855
3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803946
2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 120984721
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 24634626
3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 91634966
tert-butyl N-[4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutyl]carbamate
CID 55405860
N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
CID 42803917
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35126826
1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea
CID 50801399
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide (CID 42803966) is 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CC(c1ccccc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide?
The InChIKey is QLSFTUPFASFMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-26-12-6-11-23-21(25)13-17(15-7-2-4-9-19(15)22)18-14-24-20-10-5-3-8-16(18)20/h2-5,7-10,14,17,24H,6,11-13H2,1H3,(H,23,25).
What are the key properties of 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide?
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide has a molecular weight of 370.88 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 42803966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).