2,5-dibromo-N-(3-methoxycyclobutyl)benzamide

C12H13Br2NO2 — CID 104920723

IUPAC2,5-dibromo-N-(3-methoxycyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2cc(Br)ccc2Br)C1
InChIInChI=1S/C12H13Br2NO2/c1-17-9-5-8(6-9)15-12(16)10-4-7(13)2-3-11(10)14/h2-4,8-9H,5-6H2,1H3,(H,15,16)
InChIKeyROAQHFCMLBKGMS-UHFFFAOYSA-N
MW363.05 g/mol
LogP3.12
Rot. Bonds3

About 2,5-dibromo-N-(3-methoxycyclobutyl)benzamide

2,5-dibromo-N-(3-methoxycyclobutyl)benzamide (PubChem CID 104920723) has the molecular formula C12H13Br2NO2 and a molecular weight of 363.05 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-methoxycyclobutyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-methoxycyclobutyl)benzamide
PubChem CID104920723
Molecular FormulaC12H13Br2NO2
Molecular Weight363.05 g/mol
Exact Mass360.93
IUPAC Name2,5-dibromo-N-(3-methoxycyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2cc(Br)ccc2Br)C1
InChIInChI=1S/C12H13Br2NO2/c1-17-9-5-8(6-9)15-12(16)10-4-7(13)2-3-11(10)14/h2-4,8-9H,5-6H2,1H3,(H,15,16)
InChIKeyROAQHFCMLBKGMS-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.05
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(3-methoxycyclobutyl)-5-nitrobenzamide
CID 113428937
3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide
CID 104578392
4,5-dibromo-N-(3-methoxycyclobutyl)thiophene-2-carboxamide
CID 104578402
2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 114371806
2-iodo-N-(3-methoxycyclobutyl)benzamide
CID 104578374
2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629951
4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide
CID 104578412
2,4-dibromo-N-(3-hydroxycyclobutyl)benzamide
CID 107939661
5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide
CID 114118491
4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
CID 115369287
2-bromo-5-methoxy-N-(4-oxocyclohexyl)benzamide
CID 43652918
3-bromo-N-(3-methoxycyclopentyl)benzamide
CID 103082479

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-methoxycyclobutyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(3-methoxycyclobutyl)benzamide (CID 104920723) is 2,5-dibromo-N-(3-methoxycyclobutyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(3-methoxycyclobutyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(3-methoxycyclobutyl)benzamide is COC1CC(NC(=O)c2cc(Br)ccc2Br)C1.
What is the InChIKey of 2,5-dibromo-N-(3-methoxycyclobutyl)benzamide?
The InChIKey is ROAQHFCMLBKGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO2/c1-17-9-5-8(6-9)15-12(16)10-4-7(13)2-3-11(10)14/h2-4,8-9H,5-6H2,1H3,(H,15,16).
What are the key properties of 2,5-dibromo-N-(3-methoxycyclobutyl)benzamide?
2,5-dibromo-N-(3-methoxycyclobutyl)benzamide has a molecular weight of 363.05 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3-methoxycyclobutyl)benzamide is sourced from PubChem (CID 104920723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).