3,5-dibromo-N-(4-methoxybutyl)benzamide

C12H15Br2NO2 — CID 103907947

IUPAC3,5-dibromo-N-(4-methoxybutyl)benzamide
SMILESCOCCCCNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-17-5-3-2-4-15-12(16)9-6-10(13)8-11(14)7-9/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyGNRLRJRTDQMRED-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.37
Rot. Bonds6

About 3,5-dibromo-N-(4-methoxybutyl)benzamide

3,5-dibromo-N-(4-methoxybutyl)benzamide (PubChem CID 103907947) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 3,5-dibromo-N-(4-methoxybutyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(4-methoxybutyl)benzamide
PubChem CID103907947
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name3,5-dibromo-N-(4-methoxybutyl)benzamide
SMILESCOCCCCNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H15Br2NO2/c1-17-5-3-2-4-15-12(16)9-6-10(13)8-11(14)7-9/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyGNRLRJRTDQMRED-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[3-(2-methoxyethoxy)propyl]-5-methylbenzamide
CID 104852499
3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 110610259
3-bromo-N-(4-bromobutyl)-5-methylbenzamide
CID 106845608
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 104852583
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
3,5-dibromo-N-(3-phenoxypropyl)benzamide
CID 107980421
4-bromo-3-fluoro-N-(5-methoxypentyl)benzamide
CID 113228456
3-bromo-5-methyl-N-octylbenzamide
CID 104852918
3-bromo-N-(3-ethoxypropyl)-5-methylbenzamide
CID 104851824
3-bromo-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 115999730
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(4-methoxybutyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(4-methoxybutyl)benzamide (CID 103907947) is 3,5-dibromo-N-(4-methoxybutyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(4-methoxybutyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(4-methoxybutyl)benzamide is COCCCCNC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(4-methoxybutyl)benzamide?
The InChIKey is GNRLRJRTDQMRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-17-5-3-2-4-15-12(16)9-6-10(13)8-11(14)7-9/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of 3,5-dibromo-N-(4-methoxybutyl)benzamide?
3,5-dibromo-N-(4-methoxybutyl)benzamide has a molecular weight of 365.07 g/mol, XLogP of 3.37, 6 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-methoxybutyl)benzamide is sourced from PubChem (CID 103907947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).