3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide

C23H27ClN2O2 — CID 42803855

IUPAC3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCCOC)c3ccccc3Cl)c[nH]c12
InChIInChI=1S/C23H27ClN2O2/c1-3-16-8-6-10-18-20(15-26-23(16)18)19(17-9-4-5-11-21(17)24)14-22(27)25-12-7-13-28-2/h4-6,8-11,15,19,26H,3,7,12-14H2,1-2H3,(H,25,27)
InChIKeyHJSJPRGFJXGKJN-UHFFFAOYSA-N
MW398.93 g/mol
LogP5.06
Rot. Bonds9

About 3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide

3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide (PubChem CID 42803855) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
PubChem CID42803855
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCCOC)c3ccccc3Cl)c[nH]c12
InChIInChI=1S/C23H27ClN2O2/c1-3-16-8-6-10-18-20(15-26-23(16)18)19(17-9-4-5-11-21(17)24)14-22(27)25-12-7-13-28-2/h4-6,8-11,15,19,26H,3,7,12-14H2,1-2H3,(H,25,27)
InChIKeyHJSJPRGFJXGKJN-UHFFFAOYSA-N
XLogP5.06
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.93
LogP ≤ 55.06
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-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808770
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808761
3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide
CID 42803805
(3R)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123805
(3S)-3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123806
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 42802283
3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 24718694
(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 93125167
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 91635109
(3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93123792

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide (CID 42803855) is 3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide is CCc1cccc2c(C(CC(=O)NCCCOC)c3ccccc3Cl)c[nH]c12.
What is the InChIKey of 3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide?
The InChIKey is HJSJPRGFJXGKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-3-16-8-6-10-18-20(15-26-23(16)18)19(17-9-4-5-11-21(17)24)14-22(27)25-12-7-13-28-2/h4-6,8-11,15,19,26H,3,7,12-14H2,1-2H3,(H,25,27).
What are the key properties of 3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide?
3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide has a molecular weight of 398.93 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 42803855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).