2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide

C13H18BrFN2O — CID 113252866

IUPAC2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CNc1c(F)cccc1Br
InChIInChI=1S/C13H18BrFN2O/c1-9(2)6-7-16-12(18)8-17-13-10(14)4-3-5-11(13)15/h3-5,9,17H,6-8H2,1-2H3,(H,16,18)
InChIKeyADJJQSAYYABEQZ-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.16
Rot. Bonds6

About 2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide

2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide (PubChem CID 113252866) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide
PubChem CID113252866
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CNc1c(F)cccc1Br
InChIInChI=1S/C13H18BrFN2O/c1-9(2)6-7-16-12(18)8-17-13-10(14)4-3-5-11(13)15/h3-5,9,17H,6-8H2,1-2H3,(H,16,18)
InChIKeyADJJQSAYYABEQZ-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 82818577
2-(2,6-diethylanilino)-N-(3-methylbutyl)acetamide
CID 62327341
2-(2,6-dibromoanilino)-N-propylacetamide
CID 107598911
2-(2-bromo-6-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 103741858
N-[2-(2-bromo-6-fluoroanilino)ethyl]acetamide
CID 107599336
(2R)-1-(2-bromo-6-fluoroanilino)propan-2-ol
CID 107599492
2-(4-bromo-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 60671753
3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056257
2-(2-bromo-6-fluoroanilino)-N-(3-chlorophenyl)acetamide
CID 107599222
N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
CID 108946249
N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide
CID 109032108
N-(3-methylbutyl)-2-(2-propan-2-ylanilino)acetamide
CID 60685501

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide (CID 113252866) is 2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CNc1c(F)cccc1Br.
What is the InChIKey of 2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is ADJJQSAYYABEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-9(2)6-7-16-12(18)8-17-13-10(14)4-3-5-11(13)15/h3-5,9,17H,6-8H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide?
2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 317.20 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 113252866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).