N-butyl-3-hydroxy-5-nitrobenzamide

C11H14N2O4 — CID 125116137

IUPACN-butyl-3-hydroxy-5-nitrobenzamide
SMILESCCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O4/c1-2-3-4-12-11(15)8-5-9(13(16)17)7-10(14)6-8/h5-7,14H,2-4H2,1H3,(H,12,15)
InChIKeyIRBMPNYJKOKJFO-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.83
Rot. Bonds5

About N-butyl-3-hydroxy-5-nitrobenzamide

N-butyl-3-hydroxy-5-nitrobenzamide (PubChem CID 125116137) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-butyl-3-hydroxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-butyl-3-hydroxy-5-nitrobenzamide
PubChem CID125116137
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-butyl-3-hydroxy-5-nitrobenzamide
SMILESCCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O4/c1-2-3-4-12-11(15)8-5-9(13(16)17)7-10(14)6-8/h5-7,14H,2-4H2,1H3,(H,12,15)
InChIKeyIRBMPNYJKOKJFO-UHFFFAOYSA-N
XLogP1.83
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.83
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

N-dodecyl-3,5-dinitrobenzamide
CID 3416063
3,5-dinitro-N-undecylbenzamide
CID 5056221
N-[3-[(3,5-dinitrobenzoyl)amino]propyl]-3,5-dinitrobenzamide
CID 4148153
N-butyl-3,5-dihydroxybenzamide
CID 91715801
N-[8-[(3,5-dinitrobenzoyl)amino]octyl]-3,5-dinitrobenzamide
CID 4596200
N-[2-[(3,5-dinitrobenzoyl)amino]ethyl]-3,5-dinitrobenzamide
CID 4600343
methyl 3-(hexylcarbamoyl)-5-nitrobenzoate
CID 3522987
1-N-ethyl-5-nitro-3-N-propylbenzene-1,3-dicarboxamide
CID 90429043
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
3-fluoro-N-[3-(methylamino)propyl]-5-nitrobenzamide
CID 81471141
3-bromo-N-(6-hydroxyhexyl)-5-nitrobenzamide
CID 103919327
3-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide
CID 81448854

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-hydroxy-5-nitrobenzamide?
The IUPAC name of N-butyl-3-hydroxy-5-nitrobenzamide (CID 125116137) is N-butyl-3-hydroxy-5-nitrobenzamide.
What is the SMILES notation for N-butyl-3-hydroxy-5-nitrobenzamide?
The canonical SMILES for N-butyl-3-hydroxy-5-nitrobenzamide is CCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1.
What is the InChIKey of N-butyl-3-hydroxy-5-nitrobenzamide?
The InChIKey is IRBMPNYJKOKJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-3-4-12-11(15)8-5-9(13(16)17)7-10(14)6-8/h5-7,14H,2-4H2,1H3,(H,12,15).
What are the key properties of N-butyl-3-hydroxy-5-nitrobenzamide?
N-butyl-3-hydroxy-5-nitrobenzamide has a molecular weight of 238.24 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-hydroxy-5-nitrobenzamide is sourced from PubChem (CID 125116137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).