N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride

C13H17BrClN3O3 — CID 119602955

IUPACN-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C13H16BrN3O3.ClH/c14-11-6-9(17(19)20)4-5-10(11)13(18)16-12-3-1-2-8(12)7-15;/h4-6,8,12H,1-3,7,15H2,(H,16,18);1H
InChIKeyFCRRXXGLKWADLK-UHFFFAOYSA-N
MW378.65 g/mol
LogP2.64
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride (PubChem CID 119602955) has the molecular formula C13H17BrClN3O3 and a molecular weight of 378.65 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride
PubChem CID119602955
Molecular FormulaC13H17BrClN3O3
Molecular Weight378.65 g/mol
Exact Mass377.01
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C13H16BrN3O3.ClH/c14-11-6-9(17(19)20)4-5-10(11)13(18)16-12-3-1-2-8(12)7-15;/h4-6,8,12H,1-3,7,15H2,(H,16,18);1H
InChIKeyFCRRXXGLKWADLK-UHFFFAOYSA-N
XLogP2.64
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
CID 107940016
N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride
CID 119601035
N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
CID 119605134
2-amino-N-[2-(aminomethyl)cyclopentyl]-5-fluoro-3-nitrobenzamide;hydrochloride
CID 119602993
4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride
CID 119604801
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119610894
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide
CID 103751423
N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
CID 119612232
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide
CID 115737499
[2-(aminomethyl)pyrrolidin-1-yl]-(2-bromo-4-nitrophenyl)methanone;hydrochloride
CID 119632797
N-[2-(aminomethyl)cyclopentyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119601338
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride (CID 119602955) is N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride?
The InChIKey is FCRRXXGLKWADLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3.ClH/c14-11-6-9(17(19)20)4-5-10(11)13(18)16-12-3-1-2-8(12)7-15;/h4-6,8,12H,1-3,7,15H2,(H,16,18);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride has a molecular weight of 378.65 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride is sourced from PubChem (CID 119602955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).