2,3-difluoro-N-(3-methylbut-2-enyl)benzamide

C12H13F2NO — CID 103528227

IUPAC2,3-difluoro-N-(3-methylbut-2-enyl)benzamide
SMILESCC(C)=CCNC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H13F2NO/c1-8(2)6-7-15-12(16)9-4-3-5-10(13)11(9)14/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyTVWHQONLIFYTKA-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.66
Rot. Bonds3

About 2,3-difluoro-N-(3-methylbut-2-enyl)benzamide

2,3-difluoro-N-(3-methylbut-2-enyl)benzamide (PubChem CID 103528227) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-methylbut-2-enyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(3-methylbut-2-enyl)benzamide
PubChem CID103528227
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2,3-difluoro-N-(3-methylbut-2-enyl)benzamide
SMILESCC(C)=CCNC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H13F2NO/c1-8(2)6-7-15-12(16)9-4-3-5-10(13)11(9)14/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyTVWHQONLIFYTKA-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.66
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

2,3-difluoro-N-(methylaminomethyl)benzamide
CID 140814501
2-(methylamino)-N-(3-methylbut-2-enyl)benzamide
CID 106191072
2,3-difluoro-N-pentylbenzamide
CID 62649821
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
3,4,5-trifluoro-N-(3-methylbut-2-enyl)benzamide
CID 103528204
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-(3,3-dimethylbutyl)-2,3-difluorobenzamide
CID 115605194
2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide
CID 103528233
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
2,3-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996706
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-methylbut-2-enyl)benzamide?
The IUPAC name of 2,3-difluoro-N-(3-methylbut-2-enyl)benzamide (CID 103528227) is 2,3-difluoro-N-(3-methylbut-2-enyl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(3-methylbut-2-enyl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(3-methylbut-2-enyl)benzamide is CC(C)=CCNC(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(3-methylbut-2-enyl)benzamide?
The InChIKey is TVWHQONLIFYTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-8(2)6-7-15-12(16)9-4-3-5-10(13)11(9)14/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of 2,3-difluoro-N-(3-methylbut-2-enyl)benzamide?
2,3-difluoro-N-(3-methylbut-2-enyl)benzamide has a molecular weight of 225.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(3-methylbut-2-enyl)benzamide is sourced from PubChem (CID 103528227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).