N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride

C15H22BrClN2O3 — CID 119474386

IUPACN-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCC(N)CC2)cc(OC)c1Br.Cl
InChIInChI=1S/C15H21BrN2O3.ClH/c1-20-12-7-9(8-13(21-2)14(12)16)15(19)18-11-5-3-10(17)4-6-11;/h7-8,10-11H,3-6,17H2,1-2H3,(H,18,19);1H
InChIKeyVMMYPMYYHQSRLO-UHFFFAOYSA-N
MW393.71 g/mol
LogP2.89
Rot. Bonds4

About N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride

N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride (PubChem CID 119474386) has the molecular formula C15H22BrClN2O3 and a molecular weight of 393.71 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
PubChem CID119474386
Molecular FormulaC15H22BrClN2O3
Molecular Weight393.71 g/mol
Exact Mass392.05
IUPAC NameN-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCC(N)CC2)cc(OC)c1Br.Cl
InChIInChI=1S/C15H21BrN2O3.ClH/c1-20-12-7-9(8-13(21-2)14(12)16)15(19)18-11-5-3-10(17)4-6-11;/h7-8,10-11H,3-6,17H2,1-2H3,(H,18,19);1H
InChIKeyVMMYPMYYHQSRLO-UHFFFAOYSA-N
XLogP2.89
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.71
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119475170
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide
CID 104850911
4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 38212968
4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-3,5-dimethoxybenzamide
CID 104957285
N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride
CID 119478225
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-(4-aminocyclohexyl)-3-bromobenzamide;hydrochloride
CID 86277418
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
N-(4-aminocyclohexyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119478485

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride (CID 119474386) is N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride is COc1cc(C(=O)NC2CCC(N)CC2)cc(OC)c1Br.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride?
The InChIKey is VMMYPMYYHQSRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O3.ClH/c1-20-12-7-9(8-13(21-2)14(12)16)15(19)18-11-5-3-10(17)4-6-11;/h7-8,10-11H,3-6,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride?
N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride has a molecular weight of 393.71 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119474386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).