N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide

C21H24Cl2N2O3 — CID 30101864

IUPACN-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
SMILESCOc1ccc([C@@H]2CCCN2CCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1
InChIInChI=1S/C21H24Cl2N2O3/c1-27-14-8-9-15(19(13-14)28-2)18-7-4-11-25(18)12-10-20(26)24-21-16(22)5-3-6-17(21)23/h3,5-6,8-9,13,18H,4,7,10-12H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyBLTJNQXEIDIGFW-SFHVURJKSA-N
MW423.34 g/mol
LogP5.18
Rot. Bonds7

About N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide

N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide (PubChem CID 30101864) has the molecular formula C21H24Cl2N2O3 and a molecular weight of 423.34 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
PubChem CID30101864
Molecular FormulaC21H24Cl2N2O3
Molecular Weight423.34 g/mol
Exact Mass422.12
IUPAC NameN-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
SMILESCOc1ccc([C@@H]2CCCN2CCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1
InChIInChI=1S/C21H24Cl2N2O3/c1-27-14-8-9-15(19(13-14)28-2)18-7-4-11-25(18)12-10-20(26)24-21-16(22)5-3-6-17(21)23/h3,5-6,8-9,13,18H,4,7,10-12H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyBLTJNQXEIDIGFW-SFHVURJKSA-N
XLogP5.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.34
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]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

N-(2,6-dichlorophenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 24589296
N-(5-chloro-2-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 55482977
N-[2-(2-chloroanilino)-2-oxoethyl]-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 27100799
4-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]butane-1-sulfonic acid
CID 8834922
N-(2-chloro-4-fluorophenyl)-2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46615010
methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate
CID 8856176
2-[[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26648605
N-(4-bromo-2-fluorophenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 55482757
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 8835105
1-[2-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]phenyl]ethanone
CID 26546462
N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831287
methyl 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzoate
CID 8835199

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide (CID 30101864) is N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide is COc1ccc([C@@H]2CCCN2CCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
The InChIKey is BLTJNQXEIDIGFW-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3/c1-27-14-8-9-15(19(13-14)28-2)18-7-4-11-25(18)12-10-20(26)24-21-16(22)5-3-6-17(21)23/h3,5-6,8-9,13,18H,4,7,10-12H2,1-2H3,(H,24,26)/t18-/m0/s1.
What are the key properties of N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide has a molecular weight of 423.34 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 30101864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).