N-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide

C11H12BrF2NO — CID 14141145

IUPACN-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H12BrF2NO/c1-11(2,3)10(16)15-9-7(12)4-6(13)5-8(9)14/h4-5H,1-3H3,(H,15,16)
InChIKeyJRPFMFXMDNQTTB-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.71
Rot. Bonds1

About N-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide

N-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide (PubChem CID 14141145) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide
PubChem CID14141145
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C11H12BrF2NO/c1-11(2,3)10(16)15-9-7(12)4-6(13)5-8(9)14/h4-5H,1-3H3,(H,15,16)
InChIKeyJRPFMFXMDNQTTB-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide (CID 14141145) is N-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide?
The InChIKey is JRPFMFXMDNQTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c1-11(2,3)10(16)15-9-7(12)4-6(13)5-8(9)14/h4-5H,1-3H3,(H,15,16).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide?
N-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide has a molecular weight of 292.12 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 14141145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).