2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide

C13H16F2N2O2 — CID 81269914

IUPAC2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide
SMILESCC(COc1c(F)cccc1F)(NC1CC1)C(N)=O
InChIInChI=1S/C13H16F2N2O2/c1-13(12(16)18,17-8-5-6-8)7-19-11-9(14)3-2-4-10(11)15/h2-4,8,17H,5-7H2,1H3,(H2,16,18)
InChIKeyDKSJNBLGXXJEQQ-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.34
Rot. Bonds6

About 2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide

2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide (PubChem CID 81269914) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide
PubChem CID81269914
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide
SMILESCC(COc1c(F)cccc1F)(NC1CC1)C(N)=O
InChIInChI=1S/C13H16F2N2O2/c1-13(12(16)18,17-8-5-6-8)7-19-11-9(14)3-2-4-10(11)15/h2-4,8,17H,5-7H2,1H3,(H2,16,18)
InChIKeyDKSJNBLGXXJEQQ-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-methyl-3-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 103290058
2-(cyclopropylamino)-3-(2-fluoro-6-nitrophenoxy)-2-methylpropanoic acid
CID 104832328
2-(cyclopentylamino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831945
2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]-2-methylpropanamide
CID 63984624
2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propylamino)propanamide
CID 81265246
3-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)propanoic acid
CID 81269915
2-(cyclopropylamino)-4-(3-ethoxyphenoxy)-2-methylbutanamide
CID 62337489
5-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)pentanamide
CID 81265267
3-(3-chloro-4-nitrophenoxy)-2-(cyclopropylamino)-2-methylpropanamide
CID 62113973
2-(cyclopropylamino)-3-(1,3-dihydroisoindol-2-yl)-2-methylpropanamide
CID 62230821
2-(cyclopropylamino)-3-(2-fluoro-5-methylphenoxy)-2-methylpropanoic acid
CID 64854484
2-(cyclopropylamino)-2-methyl-4-phenoxypentanamide
CID 64706033

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide?
The IUPAC name of 2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide (CID 81269914) is 2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide.
What is the SMILES notation for 2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide?
The canonical SMILES for 2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide is CC(COc1c(F)cccc1F)(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide?
The InChIKey is DKSJNBLGXXJEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-13(12(16)18,17-8-5-6-8)7-19-11-9(14)3-2-4-10(11)15/h2-4,8,17H,5-7H2,1H3,(H2,16,18).
What are the key properties of 2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide?
2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide has a molecular weight of 270.28 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(2,6-difluorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 81269914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).