2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide

C18H20Cl2N2O2 — CID 162379673

IUPAC2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide
SMILESCC(C)N(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O2/c1-12(2)22(11-17(23)14-4-3-7-21-10-14)18(24)9-13-5-6-15(19)16(20)8-13/h3-8,10,12,17,23H,9,11H2,1-2H3/t17-/m1/s1
InChIKeyDUBRTBODDZPVAF-QGZVFWFLSA-N
MW367.28 g/mol
LogP3.90
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide

2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide (PubChem CID 162379673) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide
PubChem CID162379673
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide
SMILESCC(C)N(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O2/c1-12(2)22(11-17(23)14-4-3-7-21-10-14)18(24)9-13-5-6-15(19)16(20)8-13/h3-8,10,12,17,23H,9,11H2,1-2H3/t17-/m1/s1
InChIKeyDUBRTBODDZPVAF-QGZVFWFLSA-N
XLogP3.90
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
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
5,6-dichloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
CID 162379683

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide (CID 162379673) is 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide is CC(C)N(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide?
The InChIKey is DUBRTBODDZPVAF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-12(2)22(11-17(23)14-4-3-7-21-10-14)18(24)9-13-5-6-15(19)16(20)8-13/h3-8,10,12,17,23H,9,11H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide?
2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-ylacetamide has a molecular weight of 367.28 g/mol, XLogP of 3.90, 6 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-propan-2-ylacetamide is sourced from PubChem (CID 162379673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).