4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide

C16H23BrN2O — CID 7696510

IUPAC4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCN(C)C1(CNC(=O)c2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C16H23BrN2O/c1-19(2)16(10-4-3-5-11-16)12-18-15(20)13-6-8-14(17)9-7-13/h6-9H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyRHNRWKLWYAKABH-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.44
Rot. Bonds4

About 4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide

4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide (PubChem CID 7696510) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
PubChem CID7696510
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCN(C)C1(CNC(=O)c2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C16H23BrN2O/c1-19(2)16(10-4-3-5-11-16)12-18-15(20)13-6-8-14(17)9-7-13/h6-9H,3-5,10-12H2,1-2H3,(H,18,20)
InChIKeyRHNRWKLWYAKABH-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The IUPAC name of 4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide (CID 7696510) is 4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The canonical SMILES for 4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide is CN(C)C1(CNC(=O)c2ccc(Br)cc2)CCCCC1.
What is the InChIKey of 4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The InChIKey is RHNRWKLWYAKABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-19(2)16(10-4-3-5-11-16)12-18-15(20)13-6-8-14(17)9-7-13/h6-9H,3-5,10-12H2,1-2H3,(H,18,20).
What are the key properties of 4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide has a molecular weight of 339.28 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 7696510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).