N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride

C11H16ClN3O3 — CID 119521328

IUPACN-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-11(2,7-12)13-10(15)8-3-5-9(6-4-8)14(16)17;/h3-6H,7,12H2,1-2H3,(H,13,15);1H
InChIKeyZQLRBTZWBAWACP-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.48
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride (PubChem CID 119521328) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride
PubChem CID119521328
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride
SMILESCC(C)(CN)NC(=O)c1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C11H15N3O3.ClH/c1-11(2,7-12)13-10(15)8-3-5-9(6-4-8)14(16)17;/h3-6H,7,12H2,1-2H3,(H,13,15);1H
InChIKeyZQLRBTZWBAWACP-UHFFFAOYSA-N
XLogP1.48
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.48
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-(1-amino-2,3-dimethylbutan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119605451
N-(2-methyl-1-phenylpropan-2-yl)-4-nitrobenzamide
CID 84568314
N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide
CID 63194127
4-nitrobenzohydrazide;hydrochloride
CID 172718286
N-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide
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N-(1-amino-2-methylpropan-2-yl)-2-(4-nitrophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119523625
N-(4-chloro-2-methyl-3-oxobutan-2-yl)-4-nitrobenzamide
CID 11822191
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461
N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride
CID 119521783
N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 130650761
N-(1-amino-2-methylpropan-2-yl)-4-(methoxymethyl)benzamide
CID 119524261
N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide
CID 4927498

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride (CID 119521328) is N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride is CC(C)(CN)NC(=O)c1ccc([N+](=O)[O-])cc1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride?
The InChIKey is ZQLRBTZWBAWACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3.ClH/c1-11(2,7-12)13-10(15)8-3-5-9(6-4-8)14(16)17;/h3-6H,7,12H2,1-2H3,(H,13,15);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride has a molecular weight of 273.72 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride is sourced from PubChem (CID 119521328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).