N-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide

C13H14Br2FNO — CID 139782056

IUPACN-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C=C(Br)Br)cc1F
InChIInChI=1S/C13H14Br2FNO/c1-13(2,3)12(18)17-10-5-4-8(6-9(10)16)7-11(14)15/h4-7H,1-3H3,(H,17,18)
InChIKeyQVNZTWYXWKRRMU-UHFFFAOYSA-N
MW379.07 g/mol
LogP4.90
Rot. Bonds2

About N-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide

N-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide (PubChem CID 139782056) has the molecular formula C13H14Br2FNO and a molecular weight of 379.07 g/mol. Its IUPAC name is N-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide
PubChem CID139782056
Molecular FormulaC13H14Br2FNO
Molecular Weight379.07 g/mol
Exact Mass376.94
IUPAC NameN-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C=C(Br)Br)cc1F
InChIInChI=1S/C13H14Br2FNO/c1-13(2,3)12(18)17-10-5-4-8(6-9(10)16)7-11(14)15/h4-7H,1-3H3,(H,17,18)
InChIKeyQVNZTWYXWKRRMU-UHFFFAOYSA-N
XLogP4.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.07
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 64795167
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
N-(4-ethynyl-2-fluorophenyl)-2,2-dimethylpropanamide
CID 139782044
N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide
CID 63939054
N-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropanamide
CID 130165280
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 55121126
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
CID 146561302
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975
N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide
CID 112989406
3-(4-acetamido-3-fluorophenyl)prop-2-enoic acid
CID 70364577
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 59677530
1-(2,2-dimethylpropanoylamino)-3-(2-fluorophenyl)urea
CID 17269898

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide (CID 139782056) is N-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(C=C(Br)Br)cc1F.
What is the InChIKey of N-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide?
The InChIKey is QVNZTWYXWKRRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2FNO/c1-13(2,3)12(18)17-10-5-4-8(6-9(10)16)7-11(14)15/h4-7H,1-3H3,(H,17,18).
What are the key properties of N-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide?
N-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide has a molecular weight of 379.07 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dibromoethenyl)-2-fluorophenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 139782056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).