N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide

C11H11F2NO2 — CID 115176272

IUPACN-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide
SMILESCC(=O)CC(=O)N(C)c1cc(F)ccc1F
InChIInChI=1S/C11H11F2NO2/c1-7(15)5-11(16)14(2)10-6-8(12)3-4-9(10)13/h3-4,6H,5H2,1-2H3
InChIKeyYGVCKEDAKKBLSV-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.91
Rot. Bonds3

About N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide

N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide (PubChem CID 115176272) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide
PubChem CID115176272
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC NameN-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide
SMILESCC(=O)CC(=O)N(C)c1cc(F)ccc1F
InChIInChI=1S/C11H11F2NO2/c1-7(15)5-11(16)14(2)10-6-8(12)3-4-9(10)13/h3-4,6H,5H2,1-2H3
InChIKeyYGVCKEDAKKBLSV-UHFFFAOYSA-N
XLogP1.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluorophenyl)-2-(hydroxymethyl)-N-methylbutanamide
CID 115186450
2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide
CID 115187511
4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide
CID 115160992
4-amino-N-(5-chloro-2-fluorophenyl)-N-methylpentanamide
CID 115156651
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-3-oxobutanamide
CID 115176479
1-[(2,5-difluorophenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 115183843
N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide
CID 115157831
4-amino-N-(5-chloro-2-fluorophenyl)-N-methylbutanamide
CID 115155218
N-(5-ethyl-2-fluorophenyl)-N-methylacetamide
CID 150244406
3-[2,5-difluoro-N-(2-methylprop-2-enyl)anilino]propanoic acid
CID 82319613
3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid
CID 82320001
(2,5-difluoro-N-methylanilino)methanethiol
CID 115227749

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide?
The IUPAC name of N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide (CID 115176272) is N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide?
The canonical SMILES for N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide is CC(=O)CC(=O)N(C)c1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide?
The InChIKey is YGVCKEDAKKBLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-7(15)5-11(16)14(2)10-6-8(12)3-4-9(10)13/h3-4,6H,5H2,1-2H3.
What are the key properties of N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide?
N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide has a molecular weight of 227.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide is sourced from PubChem (CID 115176272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).