3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide

C25H23ClN2O — CID 42802173

IUPAC3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
SMILESO=C(CC(c1ccc(Cl)cc1)c1c[nH]c2ccccc12)NCCc1ccccc1
InChIInChI=1S/C25H23ClN2O/c26-20-12-10-19(11-13-20)22(23-17-28-24-9-5-4-8-21(23)24)16-25(29)27-15-14-18-6-2-1-3-7-18/h1-13,17,22,28H,14-16H2,(H,27,29)
InChIKeyIMTKFYUGABAYOM-UHFFFAOYSA-N
MW402.93 g/mol
LogP5.70
Rot. Bonds7

About 3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide

3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide (PubChem CID 42802173) has the molecular formula C25H23ClN2O and a molecular weight of 402.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
PubChem CID42802173
Molecular FormulaC25H23ClN2O
Molecular Weight402.93 g/mol
Exact Mass402.15
IUPAC Name3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
SMILESO=C(CC(c1ccc(Cl)cc1)c1c[nH]c2ccccc12)NCCc1ccccc1
InChIInChI=1S/C25H23ClN2O/c26-20-12-10-19(11-13-20)22(23-17-28-24-9-5-4-8-21(23)24)16-25(29)27-15-14-18-6-2-1-3-7-18/h1-13,17,22,28H,14-16H2,(H,27,29)
InChIKeyIMTKFYUGABAYOM-UHFFFAOYSA-N
XLogP5.70
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774472
3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 42774379
3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 24718694
2-(4-chlorophenoxy)-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 35129896
3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 91634966
3-(1H-indol-3-yl)-3-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83290129
N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 42803940
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
3-(5-chloro-1H-indol-3-yl)-3-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83289144

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide (CID 42802173) is 3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide is O=C(CC(c1ccc(Cl)cc1)c1c[nH]c2ccccc12)NCCc1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is IMTKFYUGABAYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O/c26-20-12-10-19(11-13-20)22(23-17-28-24-9-5-4-8-21(23)24)16-25(29)27-15-14-18-6-2-1-3-7-18/h1-13,17,22,28H,14-16H2,(H,27,29).
What are the key properties of 3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide?
3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 402.93 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 42802173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).