2,4-difluoro-N-(2-methylprop-2-enyl)benzamide

C11H11F2NO — CID 114618824

IUPAC2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO/c1-7(2)6-14-11(15)9-4-3-8(12)5-10(9)13/h3-5H,1,6H2,2H3,(H,14,15)
InChIKeySBAYVZGSOZJPPQ-UHFFFAOYSA-N
MW211.21 g/mol
LogP2.27
Rot. Bonds3

About 2,4-difluoro-N-(2-methylprop-2-enyl)benzamide

2,4-difluoro-N-(2-methylprop-2-enyl)benzamide (PubChem CID 114618824) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
PubChem CID114618824
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO/c1-7(2)6-14-11(15)9-4-3-8(12)5-10(9)13/h3-5H,1,6H2,2H3,(H,14,15)
InChIKeySBAYVZGSOZJPPQ-UHFFFAOYSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.27
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-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide
CID 91723454
2,4-difluoro-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 51192153
4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide
CID 114088240
5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114615032
3-fluoro-5-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114618286
N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 86796409
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 26661170
2,4-difluoro-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46536013
2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 139013505
N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24594828

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 2,4-difluoro-N-(2-methylprop-2-enyl)benzamide (CID 114618824) is 2,4-difluoro-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(2-methylprop-2-enyl)benzamide is C=C(C)CNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is SBAYVZGSOZJPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c1-7(2)6-14-11(15)9-4-3-8(12)5-10(9)13/h3-5H,1,6H2,2H3,(H,14,15).
What are the key properties of 2,4-difluoro-N-(2-methylprop-2-enyl)benzamide?
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 211.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 114618824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).