(2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide

C15H19F2NO4 — CID 166310039

IUPAC(2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide
SMILESCN(Cc1cccc(F)c1F)C(=O)[C@H](O)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H19F2NO4/c1-15(2)21-8-11(22-15)13(19)14(20)18(3)7-9-5-4-6-10(16)12(9)17/h4-6,11,13,19H,7-8H2,1-3H3/t11-,13+/m0/s1
InChIKeyYHVFXSVYWCJHIU-WCQYABFASA-N
MW315.32 g/mol
LogP1.44
Rot. Bonds4

About (2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide

(2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide (PubChem CID 166310039) has the molecular formula C15H19F2NO4 and a molecular weight of 315.32 g/mol. Its IUPAC name is (2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound Name(2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide
PubChem CID166310039
Molecular FormulaC15H19F2NO4
Molecular Weight315.32 g/mol
Exact Mass315.13
IUPAC Name(2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide
SMILESCN(Cc1cccc(F)c1F)C(=O)[C@H](O)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C15H19F2NO4/c1-15(2)21-8-11(22-15)13(19)14(20)18(3)7-9-5-4-6-10(16)12(9)17/h4-6,11,13,19H,7-8H2,1-3H3/t11-,13+/m0/s1
InChIKeyYHVFXSVYWCJHIU-WCQYABFASA-N
XLogP1.44
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide?
The IUPAC name of (2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide (CID 166310039) is (2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for (2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for (2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide is CN(Cc1cccc(F)c1F)C(=O)[C@H](O)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide?
The InChIKey is YHVFXSVYWCJHIU-WCQYABFASA-N. The full InChI is InChI=1S/C15H19F2NO4/c1-15(2)21-8-11(22-15)13(19)14(20)18(3)7-9-5-4-6-10(16)12(9)17/h4-6,11,13,19H,7-8H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of (2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide?
(2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide has a molecular weight of 315.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2,3-difluorophenyl)methyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 166310039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).