(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide

C28H28Cl2N2O — CID 93119883

IUPAC(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide
SMILESCCn1cc([C@H](CC(=O)NCCc2ccc(Cl)cc2Cl)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C28H28Cl2N2O/c1-3-32-18-25(23-6-4-5-7-27(23)32)24(20-10-8-19(2)9-11-20)17-28(33)31-15-14-21-12-13-22(29)16-26(21)30/h4-13,16,18,24H,3,14-15,17H2,1-2H3,(H,31,33)/t24-/m1/s1
InChIKeyVPDUNAHXJDEBKL-XMMPIXPASA-N
MW479.45 g/mol
LogP7.16
Rot. Bonds8

About (3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide

(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide (PubChem CID 93119883) has the molecular formula C28H28Cl2N2O and a molecular weight of 479.45 g/mol. Its IUPAC name is (3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide
PubChem CID93119883
Molecular FormulaC28H28Cl2N2O
Molecular Weight479.45 g/mol
Exact Mass478.16
IUPAC Name(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide
SMILESCCn1cc([C@H](CC(=O)NCCc2ccc(Cl)cc2Cl)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C28H28Cl2N2O/c1-3-32-18-25(23-6-4-5-7-27(23)32)24(20-10-8-19(2)9-11-20)17-28(33)31-15-14-21-12-13-22(29)16-26(21)30/h4-13,16,18,24H,3,14-15,17H2,1-2H3,(H,31,33)/t24-/m1/s1
InChIKeyVPDUNAHXJDEBKL-XMMPIXPASA-N
XLogP7.16
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.45
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chlorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-propylpropanamide
CID 3468833
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 92917262
(3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93122197
3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)-N-(2-phenylethyl)propanamide
CID 42801311
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide
CID 93002169
(3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide
CID 93120110
3-(1-benzylindol-3-yl)-N-butyl-3-(3-chlorophenyl)propanamide
CID 42777994
3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83288318
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide
CID 5000823
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide
CID 93119937
(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98926923
(3S)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 93119934

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of (3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide (CID 93119883) is (3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for (3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for (3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide is CCn1cc([C@H](CC(=O)NCCc2ccc(Cl)cc2Cl)c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of (3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is VPDUNAHXJDEBKL-XMMPIXPASA-N. The full InChI is InChI=1S/C28H28Cl2N2O/c1-3-32-18-25(23-6-4-5-7-27(23)32)24(20-10-8-19(2)9-11-20)17-28(33)31-15-14-21-12-13-22(29)16-26(21)30/h4-13,16,18,24H,3,14-15,17H2,1-2H3,(H,31,33)/t24-/m1/s1.
What are the key properties of (3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide?
(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 479.45 g/mol, XLogP of 7.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 93119883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).