2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide

C18H20ClFN2O2 — CID 162379822

IUPAC2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide
SMILESCCCN(CC(O)c1cccnc1)C(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C18H20ClFN2O2/c1-2-8-22(12-17(23)14-4-3-7-21-11-14)18(24)9-13-5-6-15(19)10-16(13)20/h3-7,10-11,17,23H,2,8-9,12H2,1H3
InChIKeyOOIQMKCHMCRKGP-UHFFFAOYSA-N
MW350.82 g/mol
LogP3.39
Rot. Bonds7

About 2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide

2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide (PubChem CID 162379822) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide
PubChem CID162379822
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide
SMILESCCCN(CC(O)c1cccnc1)C(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C18H20ClFN2O2/c1-2-8-22(12-17(23)14-4-3-7-21-11-14)18(24)9-13-5-6-15(19)10-16(13)20/h3-7,10-11,17,23H,2,8-9,12H2,1H3
InChIKeyOOIQMKCHMCRKGP-UHFFFAOYSA-N
XLogP3.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide (CID 162379822) is 2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide is CCCN(CC(O)c1cccnc1)C(=O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide?
The InChIKey is OOIQMKCHMCRKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-2-8-22(12-17(23)14-4-3-7-21-11-14)18(24)9-13-5-6-15(19)10-16(13)20/h3-7,10-11,17,23H,2,8-9,12H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide?
2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide has a molecular weight of 350.82 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propylacetamide is sourced from PubChem (CID 162379822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).