N-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide

C11H12BrF2NO — CID 139271923

IUPACN-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide
SMILESCC(=O)N(c1c(F)cc(Br)cc1F)C(C)C
InChIInChI=1S/C11H12BrF2NO/c1-6(2)15(7(3)16)11-9(13)4-8(12)5-10(11)14/h4-6H,1-3H3
InChIKeyUHFXOMJRBIPHJY-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.49
Rot. Bonds2

About N-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide

N-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide (PubChem CID 139271923) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide
PubChem CID139271923
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide
SMILESCC(=O)N(c1c(F)cc(Br)cc1F)C(C)C
InChIInChI=1S/C11H12BrF2NO/c1-6(2)15(7(3)16)11-9(13)4-8(12)5-10(11)14/h4-6H,1-3H3
InChIKeyUHFXOMJRBIPHJY-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037
2-(4-bromo-2,6-difluoroanilino)-N-methylpropanamide
CID 65468033
methyl 2-(4-bromo-2,6-difluoroanilino)propanoate
CID 65469192
1-(5-bromo-3-fluoro-2-propan-2-yloxyphenyl)ethanone
CID 83904296
1-(5-bromo-3-fluoro-2-hydroxyphenyl)-3-methylbutan-1-one
CID 62379385
2-(5-bromo-2,3-difluorophenyl)propanoic acid
CID 84807513
2-[(1S)-1-aminoethyl]-4-bromo-6-fluorophenol
CID 130713722
3-[(4-bromo-2,6-difluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 65498833
N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide
CID 19810893
methyl 2-(4-bromo-2,6-difluorophenoxy)propanoate
CID 175054822
N-(4-fluorophenyl)-N-propan-2-ylacetamide;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 88710742
N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane
CID 142598031

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide (CID 139271923) is N-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide is CC(=O)N(c1c(F)cc(Br)cc1F)C(C)C.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide?
The InChIKey is UHFXOMJRBIPHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c1-6(2)15(7(3)16)11-9(13)4-8(12)5-10(11)14/h4-6H,1-3H3.
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide?
N-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide has a molecular weight of 292.12 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 139271923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).