2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide

C12H13F2NO — CID 114618657

IUPAC2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C12H13F2NO/c1-8(2)7-15-12(16)6-9-10(13)4-3-5-11(9)14/h3-5H,1,6-7H2,2H3,(H,15,16)
InChIKeyBADCECNHHINHBI-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.20
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide

2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide (PubChem CID 114618657) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide
PubChem CID114618657
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C12H13F2NO/c1-8(2)7-15-12(16)6-9-10(13)4-3-5-11(9)14/h3-5H,1,6-7H2,2H3,(H,15,16)
InChIKeyBADCECNHHINHBI-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-difluorophenyl)-3-methylbut-3-en-2-one
CID 115780969
N-(2-bromoprop-2-enyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 115594615
1-(2,6-difluorophenyl)-5-methylhex-5-en-2-one
CID 115802901
2-(4-aminophenyl)-N-(2-methylprop-2-enyl)acetamide
CID 114614956
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 107231725
2-(2,6-difluorophenyl)-N-[[4-(methylamino)phenyl]methyl]acetamide
CID 166293058
2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 71683363
N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide
CID 107233811
N-(2-bromoprop-2-enyl)-2-(2,3-difluorophenyl)acetamide
CID 115686682
N-(2-bromo-4,4-dimethylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 107156403
4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide
CID 114088240

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide (CID 114618657) is 2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide is C=C(C)CNC(=O)Cc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is BADCECNHHINHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-8(2)7-15-12(16)6-9-10(13)4-3-5-11(9)14/h3-5H,1,6-7H2,2H3,(H,15,16).
What are the key properties of 2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide?
2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 225.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 114618657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).