4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide

C14H18BrNO2 — CID 55225879

IUPAC4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO2/c1-16(10-11-6-8-18-9-7-11)14(17)12-2-4-13(15)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyAFRBIAGLACNFIE-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.95
Rot. Bonds3

About 4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide

4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide (PubChem CID 55225879) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
PubChem CID55225879
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
SMILESCN(CC1CCOCC1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO2/c1-16(10-11-6-8-18-9-7-11)14(17)12-2-4-13(15)5-3-12/h2-5,11H,6-10H2,1H3
InChIKeyAFRBIAGLACNFIE-UHFFFAOYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide (CID 55225879) is 4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide is CN(CC1CCOCC1)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is AFRBIAGLACNFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-16(10-11-6-8-18-9-7-11)14(17)12-2-4-13(15)5-3-12/h2-5,11H,6-10H2,1H3.
What are the key properties of 4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide?
4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 312.21 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 55225879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).