2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide

C14H18BrNO2 — CID 113338886

IUPAC2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCC2CCCOC2)c1Br
InChIInChI=1S/C14H18BrNO2/c1-10-4-2-6-12(13(10)15)14(17)16-8-11-5-3-7-18-9-11/h2,4,6,11H,3,5,7-9H2,1H3,(H,16,17)
InChIKeyRMBUIHXYGWOBPK-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.91
Rot. Bonds3

About 2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide

2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide (PubChem CID 113338886) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide
PubChem CID113338886
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCC2CCCOC2)c1Br
InChIInChI=1S/C14H18BrNO2/c1-10-4-2-6-12(13(10)15)14(17)16-8-11-5-3-7-18-9-11/h2,4,6,11H,3,5,7-9H2,1H3,(H,16,17)
InChIKeyRMBUIHXYGWOBPK-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 61073826
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3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
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2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
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CID 94194267
5-[[(2-bromo-3-methylbenzoyl)amino]methyl]oxolane-2-carboxylic acid
CID 107981508
2-bromo-N-[(2-bromocyclohexyl)methyl]-3-methylbenzamide
CID 114024074
3-amino-2-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115548779
2-chloro-3-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115931070
4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81240575

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide (CID 113338886) is 2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide is Cc1cccc(C(=O)NCC2CCCOC2)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is RMBUIHXYGWOBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10-4-2-6-12(13(10)15)14(17)16-8-11-5-3-7-18-9-11/h2,4,6,11H,3,5,7-9H2,1H3,(H,16,17).
What are the key properties of 2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide?
2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 312.21 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 113338886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).