2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide

C12H15BrClFN2O — CID 107611469

IUPAC2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2O/c1-7(2)5-16-11(18)6-17-12-9(13)3-8(15)4-10(12)14/h3-4,7,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyUNMZZAQEQFJGBP-UHFFFAOYSA-N
MW337.62 g/mol
LogP3.43
Rot. Bonds5

About 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide

2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide (PubChem CID 107611469) has the molecular formula C12H15BrClFN2O and a molecular weight of 337.62 g/mol. Its IUPAC name is 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide
PubChem CID107611469
Molecular FormulaC12H15BrClFN2O
Molecular Weight337.62 g/mol
Exact Mass336.00
IUPAC Name2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2O/c1-7(2)5-16-11(18)6-17-12-9(13)3-8(15)4-10(12)14/h3-4,7,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyUNMZZAQEQFJGBP-UHFFFAOYSA-N
XLogP3.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.62
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide
CID 113341656
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide
CID 107611425
1-(2-bromo-6-chloro-4-fluorophenyl)-3-(2-methylpropyl)thiourea
CID 107610834
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200
2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide
CID 86816004
2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107365239
2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide
CID 104878297
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
3-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611377
2-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611552
2-(2-bromo-4,6-difluoroanilino)-N-butan-2-ylacetamide
CID 43168324
2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43347738

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide (CID 107611469) is 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is UNMZZAQEQFJGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClFN2O/c1-7(2)5-16-11(18)6-17-12-9(13)3-8(15)4-10(12)14/h3-4,7,17H,5-6H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide?
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 337.62 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 107611469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).