2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide

C13H17BrF2N2O — CID 43347738

IUPAC2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H17BrF2N2O/c1-7(2)6-17-13(19)8(3)18-12-10(14)4-9(15)5-11(12)16/h4-5,7-8,18H,6H2,1-3H3,(H,17,19)
InChIKeyQWJIEUUXFSFRSZ-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.30
Rot. Bonds5

About 2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide

2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide (PubChem CID 43347738) has the molecular formula C13H17BrF2N2O and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide
PubChem CID43347738
Molecular FormulaC13H17BrF2N2O
Molecular Weight335.19 g/mol
Exact Mass334.05
IUPAC Name2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C13H17BrF2N2O/c1-7(2)6-17-13(19)8(3)18-12-10(14)4-9(15)5-11(12)16/h4-5,7-8,18H,6H2,1-3H3,(H,17,19)
InChIKeyQWJIEUUXFSFRSZ-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide
CID 43347728
N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644485
2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide
CID 43347726
2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide
CID 43347737
2-(2,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43088760
2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43347734
N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide
CID 55118207
2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline
CID 102868237
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 107611396
2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 107650371
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
CID 106931841
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107611469

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide (CID 43347738) is 2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is QWJIEUUXFSFRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF2N2O/c1-7(2)6-17-13(19)8(3)18-12-10(14)4-9(15)5-11(12)16/h4-5,7-8,18H,6H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide?
2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 335.19 g/mol, XLogP of 3.30, 5 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 43347738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).