2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide

C12H13BrF2N2O — CID 43347726

IUPAC2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide
SMILESCC(Nc1c(F)cc(F)cc1Br)C(=O)NC1CC1
InChIInChI=1S/C12H13BrF2N2O/c1-6(12(18)17-8-2-3-8)16-11-9(13)4-7(14)5-10(11)15/h4-6,8,16H,2-3H2,1H3,(H,17,18)
InChIKeyQXUMAYFXNADDDR-UHFFFAOYSA-N
MW319.15 g/mol
LogP2.81
Rot. Bonds4

About 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide

2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide (PubChem CID 43347726) has the molecular formula C12H13BrF2N2O and a molecular weight of 319.15 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide
PubChem CID43347726
Molecular FormulaC12H13BrF2N2O
Molecular Weight319.15 g/mol
Exact Mass318.02
IUPAC Name2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide
SMILESCC(Nc1c(F)cc(F)cc1Br)C(=O)NC1CC1
InChIInChI=1S/C12H13BrF2N2O/c1-6(12(18)17-8-2-3-8)16-11-9(13)4-7(14)5-10(11)15/h4-6,8,16H,2-3H2,1H3,(H,17,18)
InChIKeyQXUMAYFXNADDDR-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 52.81
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-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide
CID 43126368
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-(5-bromo-2,4-difluoroanilino)-N-cyclohexylpropanamide
CID 102853387
N-cyclohexyl-2-(2,6-dichloro-4-fluoroanilino)propanamide
CID 83077775
2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide
CID 43088710
N-cyclopropyl-2-(2,5-difluoroanilino)propanamide
CID 43083939
2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
CID 81280708
N-cyclohexyl-2-(3-fluoro-5-methylanilino)propanamide
CID 79055402
2-bromo-4,6-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447963

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide?
The IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide (CID 43347726) is 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide is CC(Nc1c(F)cc(F)cc1Br)C(=O)NC1CC1.
What is the InChIKey of 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide?
The InChIKey is QXUMAYFXNADDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N2O/c1-6(12(18)17-8-2-3-8)16-11-9(13)4-7(14)5-10(11)15/h4-6,8,16H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide?
2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide has a molecular weight of 319.15 g/mol, XLogP of 2.81, 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-cyclopropylpropanamide is sourced from PubChem (CID 43347726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).