N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide

C11H11F2NO2 — CID 70339940

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO2/c1-6(14-11(16)7(2)15)9-4-3-8(12)5-10(9)13/h3-6H,1-2H3,(H,14,16)
InChIKeyVRRISCGRMUGYRG-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.73
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide

N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide (PubChem CID 70339940) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
PubChem CID70339940
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
SMILESCC(=O)C(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO2/c1-6(14-11(16)7(2)15)9-4-3-8(12)5-10(9)13/h3-6H,1-2H3,(H,14,16)
InChIKeyVRRISCGRMUGYRG-UHFFFAOYSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2,4-difluorophenyl)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992980
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
4-[1-(2,4-difluorophenyl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496981
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 43702013
N-(2,3-difluorophenyl)-N'-[1-(2,4-difluorophenyl)ethyl]oxamide
CID 86856670
(E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide
CID 8782179
N-[1-(2,4-difluorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732061
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 26172289
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide (CID 70339940) is N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide is CC(=O)C(=O)NC(C)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide?
The InChIKey is VRRISCGRMUGYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-6(14-11(16)7(2)15)9-4-3-8(12)5-10(9)13/h3-6H,1-2H3,(H,14,16).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide?
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide has a molecular weight of 227.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide is sourced from PubChem (CID 70339940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).