N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide

C11H14ClN3O3 — CID 63194127

IUPACN-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide
SMILESCC(C)(CN)NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H14ClN3O3/c1-11(2,6-13)14-10(16)8-5-7(15(17)18)3-4-9(8)12/h3-5H,6,13H2,1-2H3,(H,14,16)
InChIKeyXGGBUTWFYSTBAK-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.72
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide

N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide (PubChem CID 63194127) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide
PubChem CID63194127
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide
SMILESCC(C)(CN)NC(=O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C11H14ClN3O3/c1-11(2,6-13)14-10(16)8-5-7(15(17)18)3-4-9(8)12/h3-5H,6,13H2,1-2H3,(H,14,16)
InChIKeyXGGBUTWFYSTBAK-UHFFFAOYSA-N
XLogP1.72
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.72
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-methylpropan-2-yl)-2-chloro-4-nitrobenzamide
CID 119522293
2-chloro-N-(2-methylbutan-2-yl)-5-nitrobenzamide
CID 2668692
N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide
CID 115307722
N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119521328
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297714
3-[(2-chloro-5-nitrobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427112
2-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729
4-[(2-chloro-5-nitrobenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001336
2-chloro-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 2213152
5-[(2-chloro-5-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 45428362
N-[(2R)-butan-2-yl]-2-chloro-5-nitrobenzamide
CID 40537964
2-chloro-N-(1-hydroxypropan-2-yl)-5-nitrobenzamide
CID 43419368

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide (CID 63194127) is N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide is CC(C)(CN)NC(=O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide?
The InChIKey is XGGBUTWFYSTBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-11(2,6-13)14-10(16)8-5-7(15(17)18)3-4-9(8)12/h3-5H,6,13H2,1-2H3,(H,14,16).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide?
N-(1-amino-2-methylpropan-2-yl)-2-chloro-5-nitrobenzamide has a molecular weight of 271.70 g/mol, XLogP of 1.72, 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)-2-chloro-5-nitrobenzamide is sourced from PubChem (CID 63194127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).