4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide

C13H16BrF2NO2 — CID 75425528

IUPAC4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide
SMILESCOCC(C)CN(C)C(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H16BrF2NO2/c1-8(7-19-3)6-17(2)13(18)12-10(15)4-9(14)5-11(12)16/h4-5,8H,6-7H2,1-3H3
InChIKeyMLUTWPHPVBQRRE-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.08
Rot. Bonds5

About 4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide

4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide (PubChem CID 75425528) has the molecular formula C13H16BrF2NO2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide
PubChem CID75425528
Molecular FormulaC13H16BrF2NO2
Molecular Weight336.18 g/mol
Exact Mass335.03
IUPAC Name4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide
SMILESCOCC(C)CN(C)C(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C13H16BrF2NO2/c1-8(7-19-3)6-17(2)13(18)12-10(15)4-9(14)5-11(12)16/h4-5,8H,6-7H2,1-3H3
InChIKeyMLUTWPHPVBQRRE-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103747220
4-bromo-N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244885
4-bromo-N-[(3-bromocyclobutyl)methyl]-2,6-difluoro-N-methylbenzamide
CID 80672305
4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide
CID 114155269
2-amino-N-(4-bromo-2,6-difluorophenyl)-3-methoxypropanamide
CID 81101709
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,4,6-trifluoro-N-methylbenzamide
CID 65098970
methyl 3-[(3-bromo-5-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008265
3-(4-bromo-2-fluorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903881
N-(2-bromo-3-methoxypropyl)-2-fluoro-N,5-dimethylbenzamide
CID 80671755
4-bromo-2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 116528424
4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide
CID 115686751
2-bromo-N-(2-chloro-3-methoxypropyl)-4-fluoro-N-methylbenzamide
CID 55186683

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide?
The IUPAC name of 4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide (CID 75425528) is 4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide?
The canonical SMILES for 4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide is COCC(C)CN(C)C(=O)c1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide?
The InChIKey is MLUTWPHPVBQRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO2/c1-8(7-19-3)6-17(2)13(18)12-10(15)4-9(14)5-11(12)16/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide?
4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide has a molecular weight of 336.18 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-(3-methoxy-2-methylpropyl)-N-methylbenzamide is sourced from PubChem (CID 75425528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).