5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide

C15H20BrNO2 — CID 113252943

IUPAC5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
SMILESCOC1CC(NC(=O)c2cc(Br)ccc2C)C1(C)C
InChIInChI=1S/C15H20BrNO2/c1-9-5-6-10(16)7-11(9)14(18)17-12-8-13(19-4)15(12,2)3/h5-7,12-13H,8H2,1-4H3,(H,17,18)
InChIKeyOOLWMKCIJICWEC-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.30
Rot. Bonds3

About 5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide

5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide (PubChem CID 113252943) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
PubChem CID113252943
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
SMILESCOC1CC(NC(=O)c2cc(Br)ccc2C)C1(C)C
InChIInChI=1S/C15H20BrNO2/c1-9-5-6-10(16)7-11(9)14(18)17-12-8-13(19-4)15(12,2)3/h5-7,12-13H,8H2,1-4H3,(H,17,18)
InChIKeyOOLWMKCIJICWEC-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide (CID 113252943) is 5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide is COC1CC(NC(=O)c2cc(Br)ccc2C)C1(C)C.
What is the InChIKey of 5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide?
The InChIKey is OOLWMKCIJICWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-9-5-6-10(16)7-11(9)14(18)17-12-8-13(19-4)15(12,2)3/h5-7,12-13H,8H2,1-4H3,(H,17,18).
What are the key properties of 5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide?
5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide is sourced from PubChem (CID 113252943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).