2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide

C15H19F2NO3 — CID 114951477

IUPAC2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCOCC1)C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C15H19F2NO3/c1-18(10-15(20)5-7-21-8-6-15)14(19)9-11-12(16)3-2-4-13(11)17/h2-4,20H,5-10H2,1H3
InChIKeyJIBZTZGQZXICOU-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.51
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide

2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide (PubChem CID 114951477) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
PubChem CID114951477
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCOCC1)C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C15H19F2NO3/c1-18(10-15(20)5-7-21-8-6-15)14(19)9-11-12(16)3-2-4-13(11)17/h2-4,20H,5-10H2,1H3
InChIKeyJIBZTZGQZXICOU-UHFFFAOYSA-N
XLogP1.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114948737
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114951437
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-phenoxyacetamide
CID 114951541
5-bromo-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949575
3-chloro-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951301
4-[(2-amino-3-fluoro-N-methylanilino)methyl]oxan-4-ol
CID 114947799
2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114946878
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951274
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 114951485
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpentanamide
CID 114951614
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949568
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106704148

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide (CID 114951477) is 2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide is CN(CC1(O)CCOCC1)C(=O)Cc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
The InChIKey is JIBZTZGQZXICOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-18(10-15(20)5-7-21-8-6-15)14(19)9-11-12(16)3-2-4-13(11)17/h2-4,20H,5-10H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide has a molecular weight of 299.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 114951477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).