2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide

C18H19Cl2FN2O2 — CID 162379702

IUPAC2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide
SMILESCCCN(CC(O)c1cncc(F)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2FN2O2/c1-2-5-23(11-17(24)13-8-14(21)10-22-9-13)18(25)7-12-3-4-15(19)16(20)6-12/h3-4,6,8-10,17,24H,2,5,7,11H2,1H3
InChIKeyZFQLHVJRXXHUSL-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.04
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide

2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide (PubChem CID 162379702) has the molecular formula C18H19Cl2FN2O2 and a molecular weight of 385.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide
PubChem CID162379702
Molecular FormulaC18H19Cl2FN2O2
Molecular Weight385.27 g/mol
Exact Mass384.08
IUPAC Name2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide
SMILESCCCN(CC(O)c1cncc(F)c1)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2FN2O2/c1-2-5-23(11-17(24)13-8-14(21)10-22-9-13)18(25)7-12-3-4-15(19)16(20)6-12/h3-4,6,8-10,17,24H,2,5,7,11H2,1H3
InChIKeyZFQLHVJRXXHUSL-UHFFFAOYSA-N
XLogP4.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide (CID 162379702) is 2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide is CCCN(CC(O)c1cncc(F)c1)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide?
The InChIKey is ZFQLHVJRXXHUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN2O2/c1-2-5-23(11-17(24)13-8-14(21)10-22-9-13)18(25)7-12-3-4-15(19)16(20)6-12/h3-4,6,8-10,17,24H,2,5,7,11H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide?
2-(3,4-dichlorophenyl)-N-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide has a molecular weight of 385.27 g/mol, XLogP of 4.04, 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-[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]-N-propylacetamide is sourced from PubChem (CID 162379702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).