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

C18H20Cl2N2O2 — CID 162379809

IUPAC2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O2/c1-2-8-22(12-17(23)14-4-3-7-21-11-14)18(24)10-13-5-6-15(19)16(20)9-13/h3-7,9,11,17,23H,2,8,10,12H2,1H3/t17-/m1/s1
InChIKeyMNLFINBSKKSVTP-QGZVFWFLSA-N
MW367.28 g/mol
LogP3.90
Rot. Bonds7

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

2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (PubChem CID 162379809) 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-propylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
PubChem CID162379809
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2O2/c1-2-8-22(12-17(23)14-4-3-7-21-11-14)18(24)10-13-5-6-15(19)16(20)9-13/h3-7,9,11,17,23H,2,8,10,12H2,1H3/t17-/m1/s1
InChIKeyMNLFINBSKKSVTP-QGZVFWFLSA-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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Related Compounds

CID 11743621
CID 11743621
CID 162379702
CID 162379702
CID 162379770
CID 162379770
CID 162379815
CID 162379815
CID 162379822
CID 162379822
CID 162379655
CID 162379655
CID 162379763
CID 162379763
CID 12163872
CID 12163872
CID 162379646
CID 162379646
CID 162379667
CID 162379667
CID 162379673
CID 162379673
CID 162379674
CID 162379674

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (CID 162379809) is 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is CCCN(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-propylacetamide?
The InChIKey is MNLFINBSKKSVTP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-2-8-22(12-17(23)14-4-3-7-21-11-14)18(24)10-13-5-6-15(19)16(20)9-13/h3-7,9,11,17,23H,2,8,10,12H2,1H3/t17-/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide 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 2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is sourced from PubChem (CID 162379809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).