2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide

C12H12F2N2O2 — CID 51192153

IUPAC2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
SMILESC=CCNC(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O2/c1-2-5-15-11(17)7-16-12(18)9-4-3-8(13)6-10(9)14/h2-4,6H,1,5,7H2,(H,15,17)(H,16,18)
InChIKeyXPHMQLGMKFVOPL-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.00
Rot. Bonds5

About 2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide

2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide (PubChem CID 51192153) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
PubChem CID51192153
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
SMILESC=CCNC(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H12F2N2O2/c1-2-5-15-11(17)7-16-12(18)9-4-3-8(13)6-10(9)14/h2-4,6H,1,5,7H2,(H,15,17)(H,16,18)
InChIKeyXPHMQLGMKFVOPL-UHFFFAOYSA-N
XLogP1.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone
CID 116589743
N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571301
N'-(2,4-difluorophenyl)-N-prop-2-enylpropanediamide
CID 108941329
2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide
CID 46434276
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
2,4-difluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 46690552
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2,4-difluorobenzoate
CID 2630450
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
CID 38107976
2-fluoro-N-prop-2-enylbenzamide
CID 4125319
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29415155

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide (CID 51192153) is 2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide is C=CCNC(=O)CNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide?
The InChIKey is XPHMQLGMKFVOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-2-5-15-11(17)7-16-12(18)9-4-3-8(13)6-10(9)14/h2-4,6H,1,5,7H2,(H,15,17)(H,16,18).
What are the key properties of 2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide?
2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide has a molecular weight of 254.24 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide is sourced from PubChem (CID 51192153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).