2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide

C19H21F3N2O2 — CID 162379770

IUPAC2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C(F)F)c(F)c1
InChIInChI=1S/C19H21F3N2O2/c1-2-8-24(12-17(25)14-4-3-7-23-11-14)18(26)10-13-5-6-15(19(21)22)16(20)9-13/h3-7,9,11,17,19,25H,2,8,10,12H2,1H3/t17-/m1/s1
InChIKeyREDUHHMXVDTNLI-QGZVFWFLSA-N
MW366.38 g/mol
LogP3.67
Rot. Bonds8

About 2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide

2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (PubChem CID 162379770) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
PubChem CID162379770
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C(F)F)c(F)c1
InChIInChI=1S/C19H21F3N2O2/c1-2-8-24(12-17(25)14-4-3-7-23-11-14)18(26)10-13-5-6-15(19(21)22)16(20)9-13/h3-7,9,11,17,19,25H,2,8,10,12H2,1H3/t17-/m1/s1
InChIKeyREDUHHMXVDTNLI-QGZVFWFLSA-N
XLogP3.67
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The IUPAC name of 2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide (CID 162379770) is 2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The canonical SMILES for 2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is CCCN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(C(F)F)c(F)c1.
What is the InChIKey of 2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
The InChIKey is REDUHHMXVDTNLI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-2-8-24(12-17(25)14-4-3-7-23-11-14)18(26)10-13-5-6-15(19(21)22)16(20)9-13/h3-7,9,11,17,19,25H,2,8,10,12H2,1H3/t17-/m1/s1.
What are the key properties of 2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide?
2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide has a molecular weight of 366.38 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-3-fluorophenyl]-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propylacetamide is sourced from PubChem (CID 162379770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).