2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide

C11H10F3NO — CID 91723454

IUPAC2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H10F3NO/c1-6(2)5-15-11(16)7-3-4-8(12)10(14)9(7)13/h3-4H,1,5H2,2H3,(H,15,16)
InChIKeyHWZNQTQKMAELFS-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.41
Rot. Bonds3

About 2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide

2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide (PubChem CID 91723454) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide
PubChem CID91723454
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H10F3NO/c1-6(2)5-15-11(16)7-3-4-8(12)10(14)9(7)13/h3-4H,1,5H2,2H3,(H,15,16)
InChIKeyHWZNQTQKMAELFS-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide
CID 114088240
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 531421
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114615032
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
N-[2-(diethylcarbamoylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108574424
N-(3-bromo-2,2-dimethylpropyl)-2,3,4-trifluorobenzamide
CID 115364841
5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide
CID 114617404
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 112997585
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 113002351
N,2,3,4-tetrafluorobenzamide
CID 91055455
N-(4-bromobutyl)-2,3,4-trifluorobenzamide
CID 106845799

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide (CID 91723454) is 2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide is C=C(C)CNC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is HWZNQTQKMAELFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-6(2)5-15-11(16)7-3-4-8(12)10(14)9(7)13/h3-4H,1,5H2,2H3,(H,15,16).
What are the key properties of 2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide?
2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 229.20 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 91723454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).