3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide

C16H22BrClN2O — CID 107952216

IUPAC3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCN(C)C1(CNC(=O)c2cc(Cl)cc(Br)c2)CCCCC1
InChIInChI=1S/C16H22BrClN2O/c1-20(2)16(6-4-3-5-7-16)11-19-15(21)12-8-13(17)10-14(18)9-12/h8-10H,3-7,11H2,1-2H3,(H,19,21)
InChIKeyFYXXUUMIEOJZOQ-UHFFFAOYSA-N
MW373.72 g/mol
LogP4.10
Rot. Bonds4

About 3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide

3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide (PubChem CID 107952216) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
PubChem CID107952216
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC Name3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
SMILESCN(C)C1(CNC(=O)c2cc(Cl)cc(Br)c2)CCCCC1
InChIInChI=1S/C16H22BrClN2O/c1-20(2)16(6-4-3-5-7-16)11-19-15(21)12-8-13(17)10-14(18)9-12/h8-10H,3-7,11H2,1-2H3,(H,19,21)
InChIKeyFYXXUUMIEOJZOQ-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
CID 107941344
3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 104957596
3-bromo-5-chloro-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 107952902
3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide
CID 107940194
3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114096121
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 21409874
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
CID 39915609
4-[[(3-bromo-5-chlorobenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 107938272
2-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-fluorobenzamide
CID 18165149
4-bromo-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-fluorobenzamide
CID 18165179
3,5-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107975178

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide (CID 107952216) is 3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide is CN(C)C1(CNC(=O)c2cc(Cl)cc(Br)c2)CCCCC1.
What is the InChIKey of 3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
The InChIKey is FYXXUUMIEOJZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrClN2O/c1-20(2)16(6-4-3-5-7-16)11-19-15(21)12-8-13(17)10-14(18)9-12/h8-10H,3-7,11H2,1-2H3,(H,19,21).
What are the key properties of 3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide?
3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide has a molecular weight of 373.72 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 107952216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).