2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide

C12H15BrF2N2O — CID 43347728

IUPAC2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C12H15BrF2N2O/c1-6(2)16-12(18)7(3)17-11-9(13)4-8(14)5-10(11)15/h4-7,17H,1-3H3,(H,16,18)
InChIKeyMLBPISKVZORWJZ-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.05
Rot. Bonds4

About 2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide

2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide (PubChem CID 43347728) has the molecular formula C12H15BrF2N2O and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide
PubChem CID43347728
Molecular FormulaC12H15BrF2N2O
Molecular Weight321.17 g/mol
Exact Mass320.03
IUPAC Name2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C12H15BrF2N2O/c1-6(2)16-12(18)7(3)17-11-9(13)4-8(14)5-10(11)15/h4-7,17H,1-3H3,(H,16,18)
InChIKeyMLBPISKVZORWJZ-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide
CID 43347726
2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43347738
2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide
CID 43347737
2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43347734
2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide
CID 107611279
2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline
CID 102868237
4-(2-bromo-4,6-difluoroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496506
2-(5-bromo-4-fluoro-2-nitroanilino)-N-propan-2-ylpropanamide
CID 116737298
2-(4-bromo-2,6-difluoroanilino)-N-methylpropanamide
CID 65468033
2-(3-chloro-5-fluoroanilino)-N-propan-2-ylpropanamide
CID 107365072
2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide
CID 43168324
2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline
CID 43347573

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide (CID 43347728) is 2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide?
The InChIKey is MLBPISKVZORWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2O/c1-6(2)16-12(18)7(3)17-11-9(13)4-8(14)5-10(11)15/h4-7,17H,1-3H3,(H,16,18).
What are the key properties of 2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide?
2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide has a molecular weight of 321.17 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 43347728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).