(3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide

C27H25Cl3N2O — CID 93122197

IUPAC(3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
SMILESCCc1cccc2c([C@H](CC(=O)NCCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3)c[nH]c12
InChIInChI=1S/C27H25Cl3N2O/c1-2-17-4-3-5-22-24(16-32-27(17)22)23(18-6-9-20(28)10-7-18)15-26(33)31-13-12-19-8-11-21(29)14-25(19)30/h3-11,14,16,23,32H,2,12-13,15H2,1H3,(H,31,33)/t23-/m1/s1
InChIKeyTWVXMWMECCFWCH-HSZRJFAPSA-N
MW499.87 g/mol
LogP7.57
Rot. Bonds8

About (3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide

(3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide (PubChem CID 93122197) has the molecular formula C27H25Cl3N2O and a molecular weight of 499.87 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
PubChem CID93122197
Molecular FormulaC27H25Cl3N2O
Molecular Weight499.87 g/mol
Exact Mass498.10
IUPAC Name(3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
SMILESCCc1cccc2c([C@H](CC(=O)NCCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3)c[nH]c12
InChIInChI=1S/C27H25Cl3N2O/c1-2-17-4-3-5-22-24(16-32-27(17)22)23(18-6-9-20(28)10-7-18)15-26(33)31-13-12-19-8-11-21(29)14-25(19)30/h3-11,14,16,23,32H,2,12-13,15H2,1H3,(H,31,33)/t23-/m1/s1
InChIKeyTWVXMWMECCFWCH-HSZRJFAPSA-N
XLogP7.57
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.87
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 24718694
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774604
(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)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93123792
(3S)-3-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93123771
3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 4102874
(3S)-3-(4-chlorophenyl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93122210
(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide
CID 93119883
(3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 93123779

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide?
The IUPAC name of (3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide (CID 93122197) is (3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide is CCc1cccc2c([C@H](CC(=O)NCCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3)c[nH]c12.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide?
The InChIKey is TWVXMWMECCFWCH-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H25Cl3N2O/c1-2-17-4-3-5-22-24(16-32-27(17)22)23(18-6-9-20(28)10-7-18)15-26(33)31-13-12-19-8-11-21(29)14-25(19)30/h3-11,14,16,23,32H,2,12-13,15H2,1H3,(H,31,33)/t23-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide?
(3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide has a molecular weight of 499.87 g/mol, XLogP of 7.57, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 93122197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).