N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide

C16H23BrN2O — CID 106367084

IUPACN-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CCCCC2CBr)cc1
InChIInChI=1S/C16H23BrN2O/c1-19(2)14-9-7-12(8-10-14)16(20)18-15-6-4-3-5-13(15)11-17/h7-10,13,15H,3-6,11H2,1-2H3,(H,18,20)
InChIKeyYJZGSWOFCJBDDF-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.44
Rot. Bonds4

About N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide

N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide (PubChem CID 106367084) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
PubChem CID106367084
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CCCCC2CBr)cc1
InChIInChI=1S/C16H23BrN2O/c1-19(2)14-9-7-12(8-10-14)16(20)18-15-6-4-3-5-13(15)11-17/h7-10,13,15H,3-6,11H2,1-2H3,(H,18,20)
InChIKeyYJZGSWOFCJBDDF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
N-(2-aminocyclohexyl)-4-(dimethylamino)benzamide
CID 61037234
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide
CID 101152324
N-[2-(bromomethyl)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 106367297
N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide
CID 106367080
N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179456
N-[2-(bromomethyl)cyclohexyl]-4-chloro-3-methylbenzamide
CID 114179693
N-(2-aminocyclopropyl)-4-(dimethylamino)benzamide
CID 43593768
N-[2-(bromomethyl)cyclohexyl]pyridazine-4-carboxamide
CID 106367322
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-fluorobenzamide
CID 110279233
N-[2-(bromomethyl)cyclohexyl]-3-hydroxybenzamide
CID 106367295

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide (CID 106367084) is N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NC2CCCCC2CBr)cc1.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide?
The InChIKey is YJZGSWOFCJBDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-19(2)14-9-7-12(8-10-14)16(20)18-15-6-4-3-5-13(15)11-17/h7-10,13,15H,3-6,11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide?
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)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 N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 106367084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).