4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide

C12H12F2N2O2 — CID 103515175

IUPAC4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C(F)F)cc1
InChIInChI=1S/C12H12F2N2O2/c1-2-7-15-11(17)8-3-5-9(6-4-8)16-12(18)10(13)14/h2-6,10H,1,7H2,(H,15,17)(H,16,18)
InChIKeyLVLZKJPKUPELLR-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.81
Rot. Bonds5

About 4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide

4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide (PubChem CID 103515175) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is 4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
PubChem CID103515175
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C(F)F)cc1
InChIInChI=1S/C12H12F2N2O2/c1-2-7-15-11(17)8-3-5-9(6-4-8)16-12(18)10(13)14/h2-6,10H,1,7H2,(H,15,17)(H,16,18)
InChIKeyLVLZKJPKUPELLR-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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

4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide
CID 62853093
N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 62726927
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-prop-2-enylbenzamide
CID 65230297
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide
CID 55156001
4-formamido-N-prop-2-enylbenzamide
CID 64992358
4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide
CID 60931867
4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043611
4-(125I)iodo-N-prop-2-enyl(125I)benzamide
CID 118652264
N-prop-2-enyl-4-(propylcarbamoylamino)benzamide
CID 47265151

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide (CID 103515175) is 4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NC(=O)C(F)F)cc1.
What is the InChIKey of 4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide?
The InChIKey is LVLZKJPKUPELLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-2-7-15-11(17)8-3-5-9(6-4-8)16-12(18)10(13)14/h2-6,10H,1,7H2,(H,15,17)(H,16,18).
What are the key properties of 4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide?
4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide has a molecular weight of 254.24 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 103515175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).