2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride

C11H17ClN4O3 — CID 120827594

IUPAC2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc([N+](=O)[O-])c1N.Cl
InChIInChI=1S/C11H16N4O3.ClH/c1-7(13-2)6-14-11(16)8-4-3-5-9(10(8)12)15(17)18;/h3-5,7,13H,6,12H2,1-2H3,(H,14,16);1H
InChIKeyNUSSWGRXHLHSHS-UHFFFAOYSA-N
MW288.74 g/mol
LogP0.94
Rot. Bonds5

About 2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride

2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride (PubChem CID 120827594) has the molecular formula C11H17ClN4O3 and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
PubChem CID120827594
Molecular FormulaC11H17ClN4O3
Molecular Weight288.74 g/mol
Exact Mass288.10
IUPAC Name2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc([N+](=O)[O-])c1N.Cl
InChIInChI=1S/C11H16N4O3.ClH/c1-7(13-2)6-14-11(16)8-4-3-5-9(10(8)12)15(17)18;/h3-5,7,13H,6,12H2,1-2H3,(H,14,16);1H
InChIKeyNUSSWGRXHLHSHS-UHFFFAOYSA-N
XLogP0.94
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 50.94
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

2-amino-N-(2-ethylbutyl)-3-nitrobenzamide
CID 115678977
3-methyl-N-[2-(methylamino)propyl]-2-nitrobenzamide;hydrochloride
CID 120828085
2-amino-5-fluoro-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120829397
2-amino-3-nitro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 115678974
2-amino-N-(3-methylsulfinylbutyl)-3-nitrobenzamide
CID 115729440
4-fluoro-N-[2-(methylamino)propyl]-2-nitrobenzamide
CID 120832941
2-amino-N-(3-ethylpentan-2-yl)-3-nitrobenzamide
CID 115679021
2-amino-N-(1-amino-2,3-dimethylbutan-2-yl)-3-nitrobenzamide;hydrochloride
CID 119606725
2-amino-3-nitro-N-octylbenzamide
CID 115936915
2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 112699109
N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride
CID 120829926
N-(2-amino-3-hydroxybutyl)-2-nitrobenzamide
CID 64540819

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride (CID 120827594) is 2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride is CNC(C)CNC(=O)c1cccc([N+](=O)[O-])c1N.Cl.
What is the InChIKey of 2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride?
The InChIKey is NUSSWGRXHLHSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3.ClH/c1-7(13-2)6-14-11(16)8-4-3-5-9(10(8)12)15(17)18;/h3-5,7,13H,6,12H2,1-2H3,(H,14,16);1H.
What are the key properties of 2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride?
2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride has a molecular weight of 288.74 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(methylamino)propyl]-3-nitrobenzamide;hydrochloride is sourced from PubChem (CID 120827594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).