4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide

C14H18BrNO2 — CID 103888174

IUPAC4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
SMILESCc1cc(C(=O)NC2CCOC(C)C2)ccc1Br
InChIInChI=1S/C14H18BrNO2/c1-9-7-11(3-4-13(9)15)14(17)16-12-5-6-18-10(2)8-12/h3-4,7,10,12H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyBTGHTJJFYKSFGB-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.05
Rot. Bonds2

About 4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide

4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide (PubChem CID 103888174) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
PubChem CID103888174
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
SMILESCc1cc(C(=O)NC2CCOC(C)C2)ccc1Br
InChIInChI=1S/C14H18BrNO2/c1-9-7-11(3-4-13(9)15)14(17)16-12-5-6-18-10(2)8-12/h3-4,7,10,12H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyBTGHTJJFYKSFGB-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103890717
4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 115868342
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540
4-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103889446
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
3-bromo-5-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113461518
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide
CID 103888185
4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 113396728
2,3-dimethyl-N-(2-methyloxan-4-yl)-1H-indole-5-carboxamide
CID 103888208
3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113346376
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide (CID 103888174) is 4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide is Cc1cc(C(=O)NC2CCOC(C)C2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide?
The InChIKey is BTGHTJJFYKSFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-9-7-11(3-4-13(9)15)14(17)16-12-5-6-18-10(2)8-12/h3-4,7,10,12H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide?
4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide has a molecular weight of 312.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide is sourced from PubChem (CID 103888174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).