N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride

C13H18BrClN2O — CID 86277418

IUPACN-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C13H17BrN2O.ClH/c14-10-3-1-2-9(8-10)13(17)16-12-6-4-11(15)5-7-12;/h1-3,8,11-12H,4-7,15H2,(H,16,17);1H
InChIKeySQLYHMRSEOGWPT-UHFFFAOYSA-N
MW333.66 g/mol
LogP2.87
Rot. Bonds2

About N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride

N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride (PubChem CID 86277418) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
PubChem CID86277418
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC NameN-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C13H17BrN2O.ClH/c14-10-3-1-2-9(8-10)13(17)16-12-6-4-11(15)5-7-12;/h1-3,8,11-12H,4-7,15H2,(H,16,17);1H
InChIKeySQLYHMRSEOGWPT-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
CID 119474943
N-(4-aminocyclohexyl)-3-chlorobenzamide
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N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
methyl 4-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 115617105
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045
N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
CID 119478074
3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 60730541
N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide
CID 119475387
N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide
CID 104850911
3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
CID 61342409
3-bromo-N-(3-methoxycyclopentyl)benzamide
CID 103082479

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride (CID 86277418) is N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride is Cl.NC1CCC(NC(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride?
The InChIKey is SQLYHMRSEOGWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O.ClH/c14-10-3-1-2-9(8-10)13(17)16-12-6-4-11(15)5-7-12;/h1-3,8,11-12H,4-7,15H2,(H,16,17);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride?
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride has a molecular weight of 333.66 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride is sourced from PubChem (CID 86277418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).