N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide

C18H20Cl2N2O2 — CID 162379759

IUPACN-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide
SMILESCCC(=O)N(CCc1ccc(Cl)c(Cl)c1)CC(O)c1cccnc1
InChIInChI=1S/C18H20Cl2N2O2/c1-2-18(24)22(12-17(23)14-4-3-8-21-11-14)9-7-13-5-6-15(19)16(20)10-13/h3-6,8,10-11,17,23H,2,7,9,12H2,1H3
InChIKeyYCAWMCCLGAAELV-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.90
Rot. Bonds7

About N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide

N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide (PubChem CID 162379759) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide
PubChem CID162379759
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC NameN-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide
SMILESCCC(=O)N(CCc1ccc(Cl)c(Cl)c1)CC(O)c1cccnc1
InChIInChI=1S/C18H20Cl2N2O2/c1-2-18(24)22(12-17(23)14-4-3-8-21-11-14)9-7-13-5-6-15(19)16(20)10-13/h3-6,8,10-11,17,23H,2,7,9,12H2,1H3
InChIKeyYCAWMCCLGAAELV-UHFFFAOYSA-N
XLogP3.90
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide (CID 162379759) is N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide is CCC(=O)N(CCc1ccc(Cl)c(Cl)c1)CC(O)c1cccnc1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide?
The InChIKey is YCAWMCCLGAAELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-2-18(24)22(12-17(23)14-4-3-8-21-11-14)9-7-13-5-6-15(19)16(20)10-13/h3-6,8,10-11,17,23H,2,7,9,12H2,1H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide?
N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide has a molecular weight of 367.28 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 162379759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).