4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide

C11H11F2NO2 — CID 82115206

IUPAC4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H11F2NO2/c1-14-11(16)5-4-10(15)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyHELWRUVJWARRLN-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.67
Rot. Bonds4

About 4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide

4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide (PubChem CID 82115206) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide
PubChem CID82115206
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H11F2NO2/c1-14-11(16)5-4-10(15)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H,14,16)
InChIKeyHELWRUVJWARRLN-UHFFFAOYSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one
CID 82112284
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CID 60680875
5-(2,5-difluorophenyl)-N-ethyl-5-oxopentanamide
CID 94271165
1-(2,5-difluorophenyl)-3-methylbut-3-en-1-one
CID 79177351
1-(2,5-difluorophenyl)-4-hydroxybutan-1-one
CID 70946452
1-(2,5-difluorophenyl)dodecan-1-one
CID 65448171
4-chloro-1-(2,5-difluorophenyl)butan-1-one
CID 175501852
2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide
CID 82112280
1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione
CID 43138932
5-fluoro-2-hydroxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 79881248
1-(2,5-difluorophenyl)but-3-yn-1-one
CID 63661122
3-(2,5-difluorophenyl)-3-oxopropanal
CID 43114709

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide?
The IUPAC name of 4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide (CID 82115206) is 4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide is CNC(=O)CCC(=O)c1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide?
The InChIKey is HELWRUVJWARRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-14-11(16)5-4-10(15)8-6-7(12)2-3-9(8)13/h2-3,6H,4-5H2,1H3,(H,14,16).
What are the key properties of 4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide?
4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide has a molecular weight of 227.21 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-N-methyl-4-oxobutanamide is sourced from PubChem (CID 82115206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).