4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride

C15H22BrClN2O — CID 165362467

IUPAC4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride
SMILESCN(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-18(2)14-6-4-3-5-13(14)17-15(19)11-7-9-12(16)10-8-11;/h7-10,13-14H,3-6H2,1-2H3,(H,17,19);1H/t13-,14-;/m0./s1
InChIKeyATYJDUHKGPBKFS-IODNYQNNSA-N
MW361.71 g/mol
LogP3.47
Rot. Bonds3

About 4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride

4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride (PubChem CID 165362467) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride
PubChem CID165362467
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride
SMILESCN(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-18(2)14-6-4-3-5-13(14)17-15(19)11-7-9-12(16)10-8-11;/h7-10,13-14H,3-6H2,1-2H3,(H,17,19);1H/t13-,14-;/m0./s1
InChIKeyATYJDUHKGPBKFS-IODNYQNNSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]benzamide
CID 6328449
4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide
CID 23349769
N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 23349714
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide
CID 54037439
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
N-[2-(dimethylamino)cyclohexyl]-4-(2,2,2-trifluoroethyl)benzamide
CID 70592375
4-bromo-N-[(7S,8S)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]benzamide
CID 54188117
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride?
The IUPAC name of 4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride (CID 165362467) is 4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride.
What is the SMILES notation for 4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride?
The canonical SMILES for 4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride is CN(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)cc1.Cl.
What is the InChIKey of 4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride?
The InChIKey is ATYJDUHKGPBKFS-IODNYQNNSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c1-18(2)14-6-4-3-5-13(14)17-15(19)11-7-9-12(16)10-8-11;/h7-10,13-14H,3-6H2,1-2H3,(H,17,19);1H/t13-,14-;/m0./s1.
What are the key properties of 4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride?
4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride is sourced from PubChem (CID 165362467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).