4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride

C13H19ClN4O3 — CID 119604801

IUPAC4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C13H18N4O3.ClH/c14-7-9-2-1-3-11(9)16-13(18)8-4-5-10(15)12(6-8)17(19)20;/h4-6,9,11H,1-3,7,14-15H2,(H,16,18);1H
InChIKeyBNSZVLYJRSFDGV-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.46
Rot. Bonds4

About 4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride

4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride (PubChem CID 119604801) has the molecular formula C13H19ClN4O3 and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride
PubChem CID119604801
Molecular FormulaC13H19ClN4O3
Molecular Weight314.77 g/mol
Exact Mass314.11
IUPAC Name4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C13H18N4O3.ClH/c14-7-9-2-1-3-11(9)16-13(18)8-4-5-10(15)12(6-8)17(19)20;/h4-6,9,11H,1-3,7,14-15H2,(H,16,18);1H
InChIKeyBNSZVLYJRSFDGV-UHFFFAOYSA-N
XLogP1.46
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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]-4-(cyclopropylamino)-3-nitrobenzamide;hydrochloride
CID 119610250
4-(4-acetylpiperazin-1-yl)-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide
CID 119601416
4-amino-N-cyclopentyl-3-nitrobenzamide
CID 25466600
4-amino-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride
CID 120576187
N-[2-(chloromethyl)cyclopentyl]-4-methyl-3-nitrobenzamide
CID 106365876
N-[2-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzamide;hydrochloride
CID 119601035
2-amino-N-[2-(aminomethyl)cyclopentyl]-5-fluoro-3-nitrobenzamide;hydrochloride
CID 119602993
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-nitrobenzamide;hydrochloride
CID 119602955
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-2,6-difluoro-3-nitrobenzamide
CID 79760259
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62955860
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride (CID 119604801) is 4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1ccc(N)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride?
The InChIKey is BNSZVLYJRSFDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3.ClH/c14-7-9-2-1-3-11(9)16-13(18)8-4-5-10(15)12(6-8)17(19)20;/h4-6,9,11H,1-3,7,14-15H2,(H,16,18);1H.
What are the key properties of 4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride?
4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride has a molecular weight of 314.77 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(aminomethyl)cyclopentyl]-3-nitrobenzamide;hydrochloride is sourced from PubChem (CID 119604801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).