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

C22H25ClN2O — CID 42774598

IUPAC3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)CC(c1cccc(Cl)c1)c1c[nH]c2c(CC)cccc12
InChIInChI=1S/C22H25ClN2O/c1-3-11-24-21(26)13-19(16-8-5-9-17(23)12-16)20-14-25-22-15(4-2)7-6-10-18(20)22/h5-10,12,14,19,25H,3-4,11,13H2,1-2H3,(H,24,26)
InChIKeyHRBPOIZSYVWKEA-UHFFFAOYSA-N
MW368.91 g/mol
LogP5.43
Rot. Bonds7

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

3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide (PubChem CID 42774598) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
PubChem CID42774598
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
SMILESCCCNC(=O)CC(c1cccc(Cl)c1)c1c[nH]c2c(CC)cccc12
InChIInChI=1S/C22H25ClN2O/c1-3-11-24-21(26)13-19(16-8-5-9-17(23)12-16)20-14-25-22-15(4-2)7-6-10-18(20)22/h5-10,12,14,19,25H,3-4,11,13H2,1-2H3,(H,24,26)
InChIKeyHRBPOIZSYVWKEA-UHFFFAOYSA-N
XLogP5.43
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774604
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 42802283
(3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93122197
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808770
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
(3S)-N-butyl-3-(7-ethyl-1H-indol-3-yl)-3-(3-nitrophenyl)propanamide
CID 93123729
N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 42802349
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide
CID 4150778
(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93140233
(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123778

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide?
The IUPAC name of 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide (CID 42774598) is 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide?
The canonical SMILES for 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide is CCCNC(=O)CC(c1cccc(Cl)c1)c1c[nH]c2c(CC)cccc12.
What is the InChIKey of 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide?
The InChIKey is HRBPOIZSYVWKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c1-3-11-24-21(26)13-19(16-8-5-9-17(23)12-16)20-14-25-22-15(4-2)7-6-10-18(20)22/h5-10,12,14,19,25H,3-4,11,13H2,1-2H3,(H,24,26).
What are the key properties of 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide?
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide has a molecular weight of 368.91 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide is sourced from PubChem (CID 42774598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).