N-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide

C11H13F2NO2 — CID 51076668

IUPACN-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2/c1-14(11(15)7-16-2)6-8-3-4-9(12)10(13)5-8/h3-5H,6-7H2,1-2H3
InChIKeyHEHKIJRYRBPYOL-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.57
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide

N-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide (PubChem CID 51076668) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide
PubChem CID51076668
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2/c1-14(11(15)7-16-2)6-8-3-4-9(12)10(13)5-8/h3-5H,6-7H2,1-2H3
InChIKeyHEHKIJRYRBPYOL-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
2,4-Oxazolidinedione, 3-benzyl-
CID 230350
N,2,2-Trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
CID 121446878
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
1-Benzyl-4-ethoxy-1,5-dihydro-2H-pyrrol-2-one
CID 563187
2-methoxy-N-(1-phenylethyl)acetamide
CID 4308652
N-Benzyl-2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanamide
CID 561513
US10927128, Example 89
CID 135374653
US10927128, Example 71
CID 135374664
US10927128, Example 84
CID 135374773
US10927128, Example 70
CID 135374933
2-Methoxy-N-((1R)-1-phenylethyl)acetamide
CID 835321

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide (CID 51076668) is N-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide is COCC(=O)N(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide?
The InChIKey is HEHKIJRYRBPYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-14(11(15)7-16-2)6-8-3-4-9(12)10(13)5-8/h3-5H,6-7H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide?
N-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide has a molecular weight of 229.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 51076668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).