2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride

C11H16ClN3O3 — CID 119502547

IUPAC2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride
SMILESCNCCNC(=O)c1ccc([N+](=O)[O-])cc1C.Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-8-7-9(14(16)17)3-4-10(8)11(15)13-6-5-12-2;/h3-4,7,12H,5-6H2,1-2H3,(H,13,15);1H
InChIKeyACVLIIVQQGAQOB-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.27
Rot. Bonds5

About 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride

2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride (PubChem CID 119502547) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride
PubChem CID119502547
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride
SMILESCNCCNC(=O)c1ccc([N+](=O)[O-])cc1C.Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-8-7-9(14(16)17)3-4-10(8)11(15)13-6-5-12-2;/h3-4,7,12H,5-6H2,1-2H3,(H,13,15);1H
InChIKeyACVLIIVQQGAQOB-UHFFFAOYSA-N
XLogP1.27
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-chloro-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119501030
2-iodo-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119504337
2-methyl-N-[3-(methylamino)propyl]-5-nitrobenzamide;hydrochloride
CID 119430057
N-(5-bromopentyl)-2-methyl-4-nitrobenzamide
CID 107321880
N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-4-nitrobenzamide
CID 103770276
N-(4-bromo-2,2-dimethylbutyl)-2-methyl-4-nitrobenzamide
CID 106143939
N-[2-[(R)-benzylsulfinyl]ethyl]-2-methyl-4-nitrobenzamide
CID 95621258
4-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide;hydrochloride
CID 119500583
2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624159
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-methyl-4-nitrobenzamide
CID 113313569
methyl 2-bromo-3-[(2-methyl-4-nitrobenzoyl)amino]propanoate
CID 103492410
1-(2-methyl-4-nitrophenyl)ethanone
CID 13043891

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride?
The IUPAC name of 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride (CID 119502547) is 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride is CNCCNC(=O)c1ccc([N+](=O)[O-])cc1C.Cl.
What is the InChIKey of 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride?
The InChIKey is ACVLIIVQQGAQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3.ClH/c1-8-7-9(14(16)17)3-4-10(8)11(15)13-6-5-12-2;/h3-4,7,12H,5-6H2,1-2H3,(H,13,15);1H.
What are the key properties of 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride?
2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride has a molecular weight of 273.72 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(methylamino)ethyl]-4-nitrobenzamide;hydrochloride is sourced from PubChem (CID 119502547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).