4-bromo-N-(2,2-diethyloxan-4-yl)benzamide

C16H22BrNO2 — CID 82760145

IUPAC4-bromo-N-(2,2-diethyloxan-4-yl)benzamide
SMILESCCC1(CC)CC(NC(=O)c2ccc(Br)cc2)CCO1
InChIInChI=1S/C16H22BrNO2/c1-3-16(4-2)11-14(9-10-20-16)18-15(19)12-5-7-13(17)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyVTAXPIQJLNTGDU-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.92
Rot. Bonds4

About 4-bromo-N-(2,2-diethyloxan-4-yl)benzamide

4-bromo-N-(2,2-diethyloxan-4-yl)benzamide (PubChem CID 82760145) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-bromo-N-(2,2-diethyloxan-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2,2-diethyloxan-4-yl)benzamide
PubChem CID82760145
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name4-bromo-N-(2,2-diethyloxan-4-yl)benzamide
SMILESCCC1(CC)CC(NC(=O)c2ccc(Br)cc2)CCO1
InChIInChI=1S/C16H22BrNO2/c1-3-16(4-2)11-14(9-10-20-16)18-15(19)12-5-7-13(17)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyVTAXPIQJLNTGDU-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034725
4-bromo-N-(2,2-diethyloxan-4-yl)-3-fluorobenzamide
CID 82765218
N-(2,2-diethyloxan-4-yl)-3-hydroxy-4-iodobenzamide
CID 104629914
4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034731
2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide
CID 103868583
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide
CID 83036644
5-[(2,2-diethyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 83035065
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzamide
CID 83039025
N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103868621
N-(2,2-diethyloxan-4-yl)-2-fluoro-5-sulfanylbenzamide
CID 107033933
4-amino-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
CID 83040050
1-(2,2-diethyloxan-4-yl)-3-propylurea
CID 115865557

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-diethyloxan-4-yl)benzamide?
The IUPAC name of 4-bromo-N-(2,2-diethyloxan-4-yl)benzamide (CID 82760145) is 4-bromo-N-(2,2-diethyloxan-4-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(2,2-diethyloxan-4-yl)benzamide?
The canonical SMILES for 4-bromo-N-(2,2-diethyloxan-4-yl)benzamide is CCC1(CC)CC(NC(=O)c2ccc(Br)cc2)CCO1.
What is the InChIKey of 4-bromo-N-(2,2-diethyloxan-4-yl)benzamide?
The InChIKey is VTAXPIQJLNTGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-3-16(4-2)11-14(9-10-20-16)18-15(19)12-5-7-13(17)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(2,2-diethyloxan-4-yl)benzamide?
4-bromo-N-(2,2-diethyloxan-4-yl)benzamide has a molecular weight of 340.26 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2-diethyloxan-4-yl)benzamide is sourced from PubChem (CID 82760145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).