2-hydroxy-3-nitro-N-octylbenzamide

C15H22N2O4 — CID 107076295

IUPAC2-hydroxy-3-nitro-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C15H22N2O4/c1-2-3-4-5-6-7-11-16-15(19)12-9-8-10-13(14(12)18)17(20)21/h8-10,18H,2-7,11H2,1H3,(H,16,19)
InChIKeyLDJCECMTVBTXCR-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.39
Rot. Bonds9

About 2-hydroxy-3-nitro-N-octylbenzamide

2-hydroxy-3-nitro-N-octylbenzamide (PubChem CID 107076295) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-hydroxy-3-nitro-N-octylbenzamide.

Molecular Properties

Compound Name2-hydroxy-3-nitro-N-octylbenzamide
PubChem CID107076295
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-hydroxy-3-nitro-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C15H22N2O4/c1-2-3-4-5-6-7-11-16-15(19)12-9-8-10-13(14(12)18)17(20)21/h8-10,18H,2-7,11H2,1H3,(H,16,19)
InChIKeyLDJCECMTVBTXCR-UHFFFAOYSA-N
XLogP3.39
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.39
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

2-methyl-3-nitro-N-nonylbenzamide
CID 4171333
2-amino-3-nitro-N-octylbenzamide
CID 115936915
2-(ethylamino)-3-nitro-N-pentylbenzamide
CID 115936323
2-hydroxy-3,5-dinitro-N-octadecylbenzamide
CID 3809844
N-hexadecyl-2-methyl-6-nitrobenzamide
CID 173399090
N-hexyl-3-methyl-2-nitrobenzamide
CID 4603212
N-but-3-ynyl-2-hydroxy-3-nitrobenzamide
CID 113264555
3-nitro-2-(octylamino)benzoic acid
CID 115932549
N-(heptylcarbamothioyl)-2-nitrobenzamide
CID 3498577
N-hexyl-2-(2-nitrophenyl)acetamide
CID 3386287
N-(6-aminohexyl)-2-methyl-3-nitrobenzamide
CID 108786358
3-(methylamino)-2-nitro-N-pentylbenzamide
CID 115548093

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-nitro-N-octylbenzamide?
The IUPAC name of 2-hydroxy-3-nitro-N-octylbenzamide (CID 107076295) is 2-hydroxy-3-nitro-N-octylbenzamide.
What is the SMILES notation for 2-hydroxy-3-nitro-N-octylbenzamide?
The canonical SMILES for 2-hydroxy-3-nitro-N-octylbenzamide is CCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-3-nitro-N-octylbenzamide?
The InChIKey is LDJCECMTVBTXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-2-3-4-5-6-7-11-16-15(19)12-9-8-10-13(14(12)18)17(20)21/h8-10,18H,2-7,11H2,1H3,(H,16,19).
What are the key properties of 2-hydroxy-3-nitro-N-octylbenzamide?
2-hydroxy-3-nitro-N-octylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-nitro-N-octylbenzamide is sourced from PubChem (CID 107076295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).