2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide

C12H15BrF2N2O — CID 43168324

IUPAC2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CNc1c(F)cc(F)cc1Br
InChIInChI=1S/C12H15BrF2N2O/c1-3-7(2)17-11(18)6-16-12-9(13)4-8(14)5-10(12)15/h4-5,7,16H,3,6H2,1-2H3,(H,17,18)
InChIKeyMSXNQDAQWHBEJH-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.05
Rot. Bonds5

About 2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide

2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide (PubChem CID 43168324) 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-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide
PubChem CID43168324
Molecular FormulaC12H15BrF2N2O
Molecular Weight321.17 g/mol
Exact Mass320.03
IUPAC Name2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CNc1c(F)cc(F)cc1Br
InChIInChI=1S/C12H15BrF2N2O/c1-3-7(2)17-11(18)6-16-12-9(13)4-8(14)5-10(12)15/h4-5,7,16H,3,6H2,1-2H3,(H,17,18)
InChIKeyMSXNQDAQWHBEJH-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-(5-bromo-2,4-difluoroanilino)-N-butan-2-ylacetamide
CID 102847112
2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide
CID 86816004
2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide
CID 54956526
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
CID 106931841
2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide
CID 62854822
2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide
CID 61488153
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257
N-butan-2-yl-2-(2-fluoro-4-methylanilino)acetamide
CID 43089124
2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide
CID 82713327
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107611469
2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide
CID 43347728

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide?
The IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide (CID 43168324) is 2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide is CCC(C)NC(=O)CNc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide?
The InChIKey is MSXNQDAQWHBEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2O/c1-3-7(2)17-11(18)6-16-12-9(13)4-8(14)5-10(12)15/h4-5,7,16H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide?
2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide has a molecular weight of 321.17 g/mol, XLogP of 3.05, 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-butan-2-ylacetamide is sourced from PubChem (CID 43168324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).