2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide

C20H22Cl2N2O2 — CID 162379821

IUPAC2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide
SMILESCC1(CN(C[C@@H](O)c2cccnc2)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H22Cl2N2O2/c1-20(6-7-20)13-24(12-18(25)15-3-2-8-23-11-15)19(26)10-14-4-5-16(21)17(22)9-14/h2-5,8-9,11,18,25H,6-7,10,12-13H2,1H3/t18-/m1/s1
InChIKeyPJSIUOBGPQAIMF-GOSISDBHSA-N
MW393.31 g/mol
LogP4.29
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide

2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide (PubChem CID 162379821) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide
PubChem CID162379821
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide
SMILESCC1(CN(C[C@@H](O)c2cccnc2)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H22Cl2N2O2/c1-20(6-7-20)13-24(12-18(25)15-3-2-8-23-11-15)19(26)10-14-4-5-16(21)17(22)9-14/h2-5,8-9,11,18,25H,6-7,10,12-13H2,1H3/t18-/m1/s1
InChIKeyPJSIUOBGPQAIMF-GOSISDBHSA-N
XLogP4.29
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide 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

2-[2-(3,4-Dichlorophenyl)ethyl-propylamino]-1-pyridin-3-ylethanol;hydrobromide
CID 11743621
2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide
CID 162379702
2-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide
CID 162379815
2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide
CID 162379822
2-(3,4-dichlorophenyl)-N-[2-hydroxy-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-N-propylacetamide
CID 162379655
2-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide
CID 162379763
1-(3-pyridyl)-2-(N-(2-(3,4-dichlorophenyl)acetyl)-N-propylamino)ethanol
CID 12163872
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-(1-methylcyclopropyl)acetamide
CID 162379646
N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide
CID 162379667
2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide
CID 162379673
Preparation of 2-(4-Chloro-3-Cyano-Phenyl)-N-[(2S)-2-Hydroxy-2-(3-Pyridyl)Ethyl]-N-Propyl-Acetamide
CID 162379674
2-(3-chloro-4-cyanophenyl)-N-cyclobutyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]acetamide
CID 162379682

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide (CID 162379821) is 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide is CC1(CN(C[C@@H](O)c2cccnc2)C(=O)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide?
The InChIKey is PJSIUOBGPQAIMF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-20(6-7-20)13-24(12-18(25)15-3-2-8-23-11-15)19(26)10-14-4-5-16(21)17(22)9-14/h2-5,8-9,11,18,25H,6-7,10,12-13H2,1H3/t18-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide?
2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide has a molecular weight of 393.31 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-[(1-methylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 162379821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).