N-2-methylbutyl-4-nitrobenzamide

HCID 9899490
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Basic information

Standard SMILES
CCC(C)CNC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey
YKWAXXNNKZSHDA-UHFFFAOYSA-N
Molecular formula
C12H16N2O3
Average molar mass
236.27 g/mol

Names & identifiers

Preferred name
N-2-methylbutyl-4-nitrobenzamide
IUPAC
N-(2-methylbutyl)-4-nitrobenzamide

Names & synonyms

SCHEMBL5508052N-2-methylbutyl-4-nitrobenzamideYKWAXXNNKZSHDA-UHFFFAOYSA-N

Database identifiers

PubChem CID
9899490

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
74.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17

Related reactions

11 records
New reaction record

Compound notes

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