2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide

C13H13F4NO — CID 103528233

IUPAC2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide
SMILESCC(C)=CCNC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H13F4NO/c1-8(2)5-6-18-12(19)10-7-9(13(15,16)17)3-4-11(10)14/h3-5,7H,6H2,1-2H3,(H,18,19)
InChIKeyFRJGOOXYDQTGFY-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.54
Rot. Bonds3

About 2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide

2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide (PubChem CID 103528233) has the molecular formula C13H13F4NO and a molecular weight of 275.25 g/mol. Its IUPAC name is 2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide
PubChem CID103528233
Molecular FormulaC13H13F4NO
Molecular Weight275.25 g/mol
Exact Mass275.09
IUPAC Name2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide
SMILESCC(C)=CCNC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H13F4NO/c1-8(2)5-6-18-12(19)10-7-9(13(15,16)17)3-4-11(10)14/h3-5,7H,6H2,1-2H3,(H,18,19)
InChIKeyFRJGOOXYDQTGFY-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 81482573
2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
CID 103528324
N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
CID 119643636
2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide
CID 82991096
N-(4-chloro-2-methylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 114306055
2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
CID 80712032
N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 113271226
2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethylideneamino]acetic acid
CID 123850842
2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 18712129
N-[2-(2-chloroethoxy)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 114297513
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 115456406
(2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid
CID 119363874

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide (CID 103528233) is 2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide is CC(C)=CCNC(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide?
The InChIKey is FRJGOOXYDQTGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO/c1-8(2)5-6-18-12(19)10-7-9(13(15,16)17)3-4-11(10)14/h3-5,7H,6H2,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide?
2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide has a molecular weight of 275.25 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 103528233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).