3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide

C13H16BrNO2 — CID 79035684

IUPAC3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCc1c(Br)cccc1C(=O)NCC1(C)COC1
InChIInChI=1S/C13H16BrNO2/c1-9-10(4-3-5-11(9)14)12(16)15-6-13(2)7-17-8-13/h3-5H,6-8H2,1-2H3,(H,15,16)
InChIKeyLZTFZSRLLPODGL-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.52
Rot. Bonds3

About 3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide

3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide (PubChem CID 79035684) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
PubChem CID79035684
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCc1c(Br)cccc1C(=O)NCC1(C)COC1
InChIInChI=1S/C13H16BrNO2/c1-9-10(4-3-5-11(9)14)12(16)15-6-13(2)7-17-8-13/h3-5H,6-8H2,1-2H3,(H,15,16)
InChIKeyLZTFZSRLLPODGL-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113362552
2-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 80710754
3-bromo-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 107271664
3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114758209
2-bromo-4-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113257527
3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103873632
2-ethylsulfonyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78956982
N-[(3-methyloxetan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558787
2-chloro-6-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 86284423
3-bromo-N-(2-bromopropyl)-2-methylbenzamide
CID 114308590
3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide
CID 115659844
3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide
CID 115659974

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The IUPAC name of 3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide (CID 79035684) is 3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide is Cc1c(Br)cccc1C(=O)NCC1(C)COC1.
What is the InChIKey of 3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The InChIKey is LZTFZSRLLPODGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-9-10(4-3-5-11(9)14)12(16)15-6-13(2)7-17-8-13/h3-5H,6-8H2,1-2H3,(H,15,16).
What are the key properties of 3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide?
3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide has a molecular weight of 298.18 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-N-[(3-methyloxetan-3-yl)methyl]benzamide is sourced from PubChem (CID 79035684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).