3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide

C27H26Cl2N2O — CID 24718694

IUPAC3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCc3ccccc3)c3ccc(Cl)c(Cl)c3)c[nH]c12
InChIInChI=1S/C27H26Cl2N2O/c1-2-19-9-6-10-21-23(17-31-27(19)21)22(20-11-12-24(28)25(29)15-20)16-26(32)30-14-13-18-7-4-3-5-8-18/h3-12,15,17,22,31H,2,13-14,16H2,1H3,(H,30,32)
InChIKeyHVZSALADYUILPR-UHFFFAOYSA-N
MW465.42 g/mol
LogP6.92
Rot. Bonds8

About 3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide

3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide (PubChem CID 24718694) has the molecular formula C27H26Cl2N2O and a molecular weight of 465.42 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
PubChem CID24718694
Molecular FormulaC27H26Cl2N2O
Molecular Weight465.42 g/mol
Exact Mass464.14
IUPAC Name3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCc3ccccc3)c3ccc(Cl)c(Cl)c3)c[nH]c12
InChIInChI=1S/C27H26Cl2N2O/c1-2-19-9-6-10-21-23(17-31-27(19)21)22(20-11-12-24(28)25(29)15-20)16-26(32)30-14-13-18-7-4-3-5-8-18/h3-12,15,17,22,31H,2,13-14,16H2,1H3,(H,30,32)
InChIKeyHVZSALADYUILPR-UHFFFAOYSA-N
XLogP6.92
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.42
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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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
(3S)-3-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93123771
(3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93123792
(3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 93123779
(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123778
(3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93122197
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774604
3-(7-ethyl-1H-indol-3-yl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 5059153
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808770
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 42802283
3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-N-(4-phenylbutan-2-yl)propanamide
CID 42802343

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide (CID 24718694) is 3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide is CCc1cccc2c(C(CC(=O)NCCc3ccccc3)c3ccc(Cl)c(Cl)c3)c[nH]c12.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is HVZSALADYUILPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N2O/c1-2-19-9-6-10-21-23(17-31-27(19)21)22(20-11-12-24(28)25(29)15-20)16-26(32)30-14-13-18-7-4-3-5-8-18/h3-12,15,17,22,31H,2,13-14,16H2,1H3,(H,30,32).
What are the key properties of 3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide?
3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 465.42 g/mol, XLogP of 6.92, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 24718694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).