N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride

C14H19BrCl2N2O — CID 119612232

IUPACN-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H18BrClN2O.ClH/c15-10-5-6-11(12(16)7-10)14(19)18-13-4-2-1-3-9(13)8-17;/h5-7,9,13H,1-4,8,17H2,(H,18,19);1H
InChIKeyICITWMTZIWYZQK-UHFFFAOYSA-N
MW382.13 g/mol
LogP3.77
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride (PubChem CID 119612232) has the molecular formula C14H19BrCl2N2O and a molecular weight of 382.13 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
PubChem CID119612232
Molecular FormulaC14H19BrCl2N2O
Molecular Weight382.13 g/mol
Exact Mass380.01
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H18BrClN2O.ClH/c15-10-5-6-11(12(16)7-10)14(19)18-13-4-2-1-3-9(13)8-17;/h5-7,9,13H,1-4,8,17H2,(H,18,19);1H
InChIKeyICITWMTZIWYZQK-UHFFFAOYSA-N
XLogP3.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.13
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
CID 107940016
N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide
CID 119603606
2-amino-4-bromo-N-(2-ethylcyclohexyl)benzamide
CID 79714631
N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide
CID 103807257
2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106367028
N-[2-(aminomethyl)cyclopentyl]-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119985581
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride
CID 119602955
N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride
CID 119612583
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 107725193
N-(2-aminocyclohexyl)-2,4-dichlorobenzamide
CID 54905526

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride (CID 119612232) is N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride?
The InChIKey is ICITWMTZIWYZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O.ClH/c15-10-5-6-11(12(16)7-10)14(19)18-13-4-2-1-3-9(13)8-17;/h5-7,9,13H,1-4,8,17H2,(H,18,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride has a molecular weight of 382.13 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride is sourced from PubChem (CID 119612232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).