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

C24H22ClN3O — CID 42774472

IUPAC3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CC(c1cccc(Cl)c1)c1c[nH]c2ccccc12)NCCc1ccccn1
InChIInChI=1S/C24H22ClN3O/c25-18-7-5-6-17(14-18)21(22-16-28-23-10-2-1-9-20(22)23)15-24(29)27-13-11-19-8-3-4-12-26-19/h1-10,12,14,16,21,28H,11,13,15H2,(H,27,29)
InChIKeyVIFYUGNCYWCJEW-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.10
Rot. Bonds7

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

3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 42774472) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID42774472
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CC(c1cccc(Cl)c1)c1c[nH]c2ccccc12)NCCc1ccccn1
InChIInChI=1S/C24H22ClN3O/c25-18-7-5-6-17(14-18)21(22-16-28-23-10-2-1-9-20(22)23)15-24(29)27-13-11-19-8-3-4-12-26-19/h1-10,12,14,16,21,28H,11,13,15H2,(H,27,29)
InChIKeyVIFYUGNCYWCJEW-UHFFFAOYSA-N
XLogP5.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83289144
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83285420
3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83290129
(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93140233
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42778001
3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 5059153
(3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93125251
3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 42802173
(3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-1-phenylpropan-1-one
CID 50901337
(3R)-3-(3-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 25375954
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide (CID 42774472) is 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide is O=C(CC(c1cccc(Cl)c1)c1c[nH]c2ccccc12)NCCc1ccccn1.
What is the InChIKey of 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is VIFYUGNCYWCJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c25-18-7-5-6-17(14-18)21(22-16-28-23-10-2-1-9-20(22)23)15-24(29)27-13-11-19-8-3-4-12-26-19/h1-10,12,14,16,21,28H,11,13,15H2,(H,27,29).
What are the key properties of 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide?
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 403.91 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 42774472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).