N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide

C12H11F3N2O2 — CID 62726927

IUPACN-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O2/c1-2-7-16-10(18)8-3-5-9(6-4-8)17-11(19)12(13,14)15/h2-6H,1,7H2,(H,16,18)(H,17,19)
InChIKeyVGBBDSSREWYKBV-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.10
Rot. Bonds4

About N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide

N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 62726927) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID62726927
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC NameN-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O2/c1-2-7-16-10(18)8-3-5-9(6-4-8)17-11(19)12(13,14)15/h2-6H,1,7H2,(H,16,18)(H,17,19)
InChIKeyVGBBDSSREWYKBV-UHFFFAOYSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.10
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-[(2-amino-2-methylpropanoyl)amino]-N-prop-2-enylbenzamide
CID 61267193
N-prop-2-enyl-4-(trifluoromethoxy)benzamide
CID 22616308
4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
CID 103515175
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-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
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
4-(125I)iodo-N-prop-2-enyl(125I)benzamide
CID 118652264
N-prop-2-enyl-4-(propylcarbamoylamino)benzamide
CID 47265151
N-prop-2-enyl-4-(sulfamoylamino)benzamide
CID 112573721

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 62726927) is N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide is C=CCNC(=O)c1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is VGBBDSSREWYKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-2-7-16-10(18)8-3-5-9(6-4-8)17-11(19)12(13,14)15/h2-6H,1,7H2,(H,16,18)(H,17,19).
What are the key properties of N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 272.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 62726927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).