2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide

C12H15BrClFN2O — CID 104878297

IUPAC2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2O/c1-3-17(4-2)11(18)7-16-12-9(13)5-8(15)6-10(12)14/h5-6,16H,3-4,7H2,1-2H3
InChIKeyCXJLFBFGWDKLME-UHFFFAOYSA-N
MW337.62 g/mol
LogP3.52
Rot. Bonds5

About 2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide

2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide (PubChem CID 104878297) 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,N-diethylacetamide.

Molecular Properties

Compound Name2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide
PubChem CID104878297
Molecular FormulaC12H15BrClFN2O
Molecular Weight337.62 g/mol
Exact Mass336.00
IUPAC Name2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H15BrClFN2O/c1-3-17(4-2)11(18)7-16-12-9(13)5-8(15)6-10(12)14/h5-6,16H,3-4,7H2,1-2H3
InChIKeyCXJLFBFGWDKLME-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.62
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107611469
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide
CID 113341656
3-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611377
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide
CID 107611425
2-(2-bromo-4,6-difluoroanilino)-N-cyclopropyl-N-ethylacetamide
CID 61488153
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
CID 107611878
2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
CID 107610048
2-(3,5-dichloroanilino)-N,N-diethylacetamide
CID 28576153
tert-butyl N-[3-(2-bromo-6-chloro-4-fluoroanilino)propyl]carbamate
CID 107610574
N-(2-bromo-6-chloro-4-fluorophenyl)-4-oxopentanamide
CID 107612048
4-(2-bromo-6-chloro-4-fluoroanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 107609248

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide?
The IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide (CID 104878297) is 2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide?
The canonical SMILES for 2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide is CCN(CC)C(=O)CNc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide?
The InChIKey is CXJLFBFGWDKLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClFN2O/c1-3-17(4-2)11(18)7-16-12-9(13)5-8(15)6-10(12)14/h5-6,16H,3-4,7H2,1-2H3.
What are the key properties of 2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide?
2-(2-bromo-6-chloro-4-fluoroanilino)-N,N-diethylacetamide has a molecular weight of 337.62 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 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,N-diethylacetamide is sourced from PubChem (CID 104878297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).