2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide

C14H19Br2NO2 — CID 113276353

IUPAC2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide
SMILESCCC(CCBr)CNC(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C14H19Br2NO2/c1-3-10(6-7-15)9-17-14(18)12-8-11(19-2)4-5-13(12)16/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyFIABBQLOKAMJRV-UHFFFAOYSA-N
MW393.12 g/mol
LogP4.00
Rot. Bonds7

About 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide

2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide (PubChem CID 113276353) has the molecular formula C14H19Br2NO2 and a molecular weight of 393.12 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide
PubChem CID113276353
Molecular FormulaC14H19Br2NO2
Molecular Weight393.12 g/mol
Exact Mass390.98
IUPAC Name2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide
SMILESCCC(CCBr)CNC(=O)c1cc(OC)ccc1Br
InChIInChI=1S/C14H19Br2NO2/c1-3-10(6-7-15)9-17-14(18)12-8-11(19-2)4-5-13(12)16/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,17,18)
InChIKeyFIABBQLOKAMJRV-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.12
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-bromo-2-ethylbutyl)-5-methylbenzamide
CID 114317834
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide
CID 125144555
2-bromo-N-[2-(2-bromoethyl)pentyl]-5-fluorobenzamide
CID 114145829
2-bromo-N-(2-ethylhexyl)-5-methylbenzamide
CID 81109580
2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide
CID 107157131
3-bromo-N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 107956765
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide (CID 113276353) is 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide is CCC(CCBr)CNC(=O)c1cc(OC)ccc1Br.
What is the InChIKey of 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide?
The InChIKey is FIABBQLOKAMJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO2/c1-3-10(6-7-15)9-17-14(18)12-8-11(19-2)4-5-13(12)16/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide?
2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide has a molecular weight of 393.12 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide is sourced from PubChem (CID 113276353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).