2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide

C13H18BrFN2O2 — CID 103238726

IUPAC2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1cc(Br)c(F)cc1C
InChIInChI=1S/C13H18BrFN2O2/c1-8-4-11(15)10(14)5-12(8)16-6-13(18)17-9(2)7-19-3/h4-5,9,16H,6-7H2,1-3H3,(H,17,18)
InChIKeyHKRFBANPQXYWCW-UHFFFAOYSA-N
MW333.20 g/mol
LogP2.46
Rot. Bonds6

About 2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide

2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 103238726) has the molecular formula C13H18BrFN2O2 and a molecular weight of 333.20 g/mol. Its IUPAC name is 2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID103238726
Molecular FormulaC13H18BrFN2O2
Molecular Weight333.20 g/mol
Exact Mass332.05
IUPAC Name2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1cc(Br)c(F)cc1C
InChIInChI=1S/C13H18BrFN2O2/c1-8-4-11(15)10(14)5-12(8)16-6-13(18)17-9(2)7-19-3/h4-5,9,16H,6-7H2,1-3H3,(H,17,18)
InChIKeyHKRFBANPQXYWCW-UHFFFAOYSA-N
XLogP2.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 54957373
2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 51252744
2-(2-bromo-4-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 54957320
2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 103750652
2-(4-chloro-2-methylanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51726773
2-(5-bromo-2,4-difluoroanilino)-N-butan-2-ylacetamide
CID 102847112
2-(5-bromo-4-fluoro-2-methylanilino)-N-(methylcarbamoyl)acetamide
CID 99831900
2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 79054522
2-(5-bromo-4-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 107592105
2-(5-bromo-4-fluoro-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 107592106
2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51728732
butyl 2-(5-bromo-4-fluoro-2-methylanilino)acetate
CID 107591851

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide (CID 103238726) is 2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CNc1cc(Br)c(F)cc1C.
What is the InChIKey of 2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is HKRFBANPQXYWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O2/c1-8-4-11(15)10(14)5-12(8)16-6-13(18)17-9(2)7-19-3/h4-5,9,16H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide?
2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 333.20 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 103238726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).