3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide

C12H15Br2NO2 — CID 103908423

IUPAC3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide
SMILESCOCCC(C)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-8(3-4-17-2)15-12(16)9-5-10(13)7-11(14)6-9/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyAROYSVRAUFBWSI-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.37
Rot. Bonds5

About 3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide

3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide (PubChem CID 103908423) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide
PubChem CID103908423
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide
SMILESCOCCC(C)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-8(3-4-17-2)15-12(16)9-5-10(13)7-11(14)6-9/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyAROYSVRAUFBWSI-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103826410
4-(bromomethyl)-N-(4-methoxybutan-2-yl)benzamide
CID 102851748
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide
CID 114022621
3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide
CID 81092041
3-bromo-N-(1-chloro-4-methoxybutan-2-yl)-5-methylbenzamide
CID 114211920
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064
3-(4-methoxybutan-2-ylcarbamoyl)benzoic acid
CID 64603087
3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide
CID 107941338
4-bromo-N-(4-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 65380192
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide (CID 103908423) is 3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide is COCCC(C)NC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide?
The InChIKey is AROYSVRAUFBWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-8(3-4-17-2)15-12(16)9-5-10(13)7-11(14)6-9/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide?
3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide has a molecular weight of 365.07 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide is sourced from PubChem (CID 103908423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).