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

C15H13BrF2N2O — CID 43347737

IUPAC2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide
SMILESCC(Nc1c(F)cc(F)cc1Br)C(=O)Nc1ccccc1
InChIInChI=1S/C15H13BrF2N2O/c1-9(15(21)20-11-5-3-2-4-6-11)19-14-12(16)7-10(17)8-13(14)18/h2-9,19H,1H3,(H,20,21)
InChIKeyGGNBGMPICLSRBA-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.17
Rot. Bonds4

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

2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide (PubChem CID 43347737) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide
PubChem CID43347737
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide
SMILESCC(Nc1c(F)cc(F)cc1Br)C(=O)Nc1ccccc1
InChIInChI=1S/C15H13BrF2N2O/c1-9(15(21)20-11-5-3-2-4-6-11)19-14-12(16)7-10(17)8-13(14)18/h2-9,19H,1H3,(H,20,21)
InChIKeyGGNBGMPICLSRBA-UHFFFAOYSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.17
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
2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide
CID 43347726
2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43347738
2-(3,4-difluoroanilino)-N-phenylpropanamide
CID 43088769
2-(2-bromoanilino)-N-phenylpropanamide
CID 43083790
2-(2-bromo-5-chloroanilino)-N-phenylpropanamide
CID 81281522
2-(2,4-dibromoanilino)-N-phenylpropanamide
CID 60680693
4-(2-bromo-4,6-difluoroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496506
2-(4-bromo-2-methylanilino)-N-phenylpropanamide
CID 43084058
2-anilino-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 60703391
2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43347734
2-(4-bromo-3-fluorophenoxy)-N-phenylpropanamide
CID 63998044

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide?
The IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide (CID 43347737) is 2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide.
What is the SMILES notation for 2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide?
The canonical SMILES for 2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide is CC(Nc1c(F)cc(F)cc1Br)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide?
The InChIKey is GGNBGMPICLSRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-9(15(21)20-11-5-3-2-4-6-11)19-14-12(16)7-10(17)8-13(14)18/h2-9,19H,1H3,(H,20,21).
What are the key properties of 2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide?
2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide has a molecular weight of 355.18 g/mol, XLogP of 4.17, 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-phenylpropanamide is sourced from PubChem (CID 43347737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).