N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride

C13H17BrCl2N2O — CID 119567613

IUPACN-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2cc(Br)ccc2Cl)CCCC1
InChIInChI=1S/C13H16BrClN2O.ClH/c14-9-3-4-11(15)10(7-9)12(18)17-13(8-16)5-1-2-6-13;/h3-4,7H,1-2,5-6,8,16H2,(H,17,18);1H
InChIKeyVVBFHXCLUMGGFG-UHFFFAOYSA-N
MW368.10 g/mol
LogP3.53
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride (PubChem CID 119567613) has the molecular formula C13H17BrCl2N2O and a molecular weight of 368.10 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
PubChem CID119567613
Molecular FormulaC13H17BrCl2N2O
Molecular Weight368.10 g/mol
Exact Mass365.99
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2cc(Br)ccc2Cl)CCCC1
InChIInChI=1S/C13H16BrClN2O.ClH/c14-9-3-4-11(15)10(7-9)12(18)17-13(8-16)5-1-2-6-13;/h3-4,7H,1-2,5-6,8,16H2,(H,17,18);1H
InChIKeyVVBFHXCLUMGGFG-UHFFFAOYSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.10
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide
CID 107333140
5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62525811
5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide
CID 62517913
4-bromo-N-[1-(bromomethyl)cyclohexyl]-2-chlorobenzamide
CID 113275517
N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 103806869
N-[1-(aminomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82883175
N-[1-(aminomethyl)cyclopentyl]-2,4-dichloro-5-methylsulfanylbenzamide
CID 119566240
N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
CID 114311325
2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 113356722
5-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 62522163
2-[1-[(4-bromo-2-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79849405

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride (CID 119567613) is N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride is Cl.NCC1(NC(=O)c2cc(Br)ccc2Cl)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride?
The InChIKey is VVBFHXCLUMGGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O.ClH/c14-9-3-4-11(15)10(7-9)12(18)17-13(8-16)5-1-2-6-13;/h3-4,7H,1-2,5-6,8,16H2,(H,17,18);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride has a molecular weight of 368.10 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-bromo-2-chlorobenzamide;hydrochloride is sourced from PubChem (CID 119567613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).