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

C26H26ClN3O — CID 42774604

IUPAC3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCc3ccccn3)c3cccc(Cl)c3)c[nH]c12
InChIInChI=1S/C26H26ClN3O/c1-2-18-7-6-11-22-24(17-30-26(18)22)23(19-8-5-9-20(27)15-19)16-25(31)29-14-12-21-10-3-4-13-28-21/h3-11,13,15,17,23,30H,2,12,14,16H2,1H3,(H,29,31)
InChIKeyUVWVBDAEMIZZIU-UHFFFAOYSA-N
MW431.97 g/mol
LogP5.66
Rot. Bonds8

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

3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 42774604) has the molecular formula C26H26ClN3O and a molecular weight of 431.97 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID42774604
Molecular FormulaC26H26ClN3O
Molecular Weight431.97 g/mol
Exact Mass431.18
IUPAC Name3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCc3ccccn3)c3cccc(Cl)c3)c[nH]c12
InChIInChI=1S/C26H26ClN3O/c1-2-18-7-6-11-22-24(17-30-26(18)22)23(19-8-5-9-20(27)15-19)16-25(31)29-14-12-21-10-3-4-13-28-21/h3-11,13,15,17,23,30H,2,12,14,16H2,1H3,(H,29,31)
InChIKeyUVWVBDAEMIZZIU-UHFFFAOYSA-N
XLogP5.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.97
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93140233
3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 5059153
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774472
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
(3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93125185
3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 24718694
(3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93122197
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83289144
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 42802283
(3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93123792
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83285420
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808770

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide (CID 42774604) is 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide is CCc1cccc2c(C(CC(=O)NCCc3ccccn3)c3cccc(Cl)c3)c[nH]c12.
What is the InChIKey of 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is UVWVBDAEMIZZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O/c1-2-18-7-6-11-22-24(17-30-26(18)22)23(19-8-5-9-20(27)15-19)16-25(31)29-14-12-21-10-3-4-13-28-21/h3-11,13,15,17,23,30H,2,12,14,16H2,1H3,(H,29,31).
What are the key properties of 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 431.97 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 42774604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).