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

C20H21ClN2O2 — CID 42808761

IUPAC3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CC(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C20H21ClN2O2/c1-25-11-10-22-20(24)12-16(14-6-2-4-8-18(14)21)17-13-23-19-9-5-3-7-15(17)19/h2-9,13,16,23H,10-12H2,1H3,(H,22,24)
InChIKeyJRAJLYCHRVKRCG-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.11
Rot. Bonds7

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

3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 42808761) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
PubChem CID42808761
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CC(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C20H21ClN2O2/c1-25-11-10-22-20(24)12-16(14-6-2-4-8-18(14)21)17-13-23-19-9-5-3-7-15(17)19/h2-9,13,16,23H,10-12H2,1H3,(H,22,24)
InChIKeyJRAJLYCHRVKRCG-UHFFFAOYSA-N
XLogP4.11
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.11
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-(3-methoxypropyl)propanamide
CID 42803966
3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 91634966
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
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35126826
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
2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 2410230
N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide
CID 35126814
ethyl 4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoate
CID 42911057

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide (CID 42808761) is 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CC(c1ccccc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is JRAJLYCHRVKRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-25-11-10-22-20(24)12-16(14-6-2-4-8-18(14)21)17-13-23-19-9-5-3-7-15(17)19/h2-9,13,16,23H,10-12H2,1H3,(H,22,24).
What are the key properties of 3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide?
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 356.85 g/mol, XLogP of 4.11, 7 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-(2-methoxyethyl)propanamide is sourced from PubChem (CID 42808761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).