N-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide

C11H14ClN3O3 — CID 119522293

IUPACN-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide
SMILESCC(C)(CN)NC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H14ClN3O3/c1-11(2,6-13)14-10(16)8-4-3-7(15(17)18)5-9(8)12/h3-5H,6,13H2,1-2H3,(H,14,16)
InChIKeyWVTNIPCFTQHZIU-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.72
Rot. Bonds4

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

N-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide (PubChem CID 119522293) 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-4-nitrobenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide
PubChem CID119522293
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide
SMILESCC(C)(CN)NC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H14ClN3O3/c1-11(2,6-13)14-10(16)8-4-3-7(15(17)18)5-9(8)12/h3-5H,6,13H2,1-2H3,(H,14,16)
InChIKeyWVTNIPCFTQHZIU-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-5-nitrobenzamide
CID 63194127
2-chloro-N-(2-cyanopropan-2-yl)-4-nitrobenzamide
CID 520009
2-chloro-N-(3-hydroxy-2-methylbutan-2-yl)-4-nitrobenzamide
CID 113346948
2-chloro-N-(2-methylbutan-2-yl)-5-nitrobenzamide
CID 2668692
2-chloro-N-(3,3-dimethylbutyl)-4-nitrobenzamide
CID 34710035
N-(1-amino-2-methylpropan-2-yl)-4-nitrobenzamide;hydrochloride
CID 119521328
N-(3-aminopropyl)-2-chloro-4-nitrobenzamide;hydrochloride
CID 119405869
N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide
CID 115307722
N-(2-amino-2-ethylbutyl)-2-chloro-4-nitrobenzamide;hydrochloride
CID 119640742
2-chloro-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119501030
N-[2-(carbamoylamino)ethyl]-2-chloro-4-nitrobenzamide
CID 78993882
N-(1-amino-2-methylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297714

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide (CID 119522293) is N-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide is CC(C)(CN)NC(=O)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-chloro-4-nitrobenzamide?
The InChIKey is WVTNIPCFTQHZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-11(2,6-13)14-10(16)8-4-3-7(15(17)18)5-9(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-4-nitrobenzamide?
N-(1-amino-2-methylpropan-2-yl)-2-chloro-4-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-4-nitrobenzamide is sourced from PubChem (CID 119522293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).