2-amino-3-nitro-N-octylbenzamide

C15H23N3O3 — CID 115936915

IUPAC2-amino-3-nitro-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C15H23N3O3/c1-2-3-4-5-6-7-11-17-15(19)12-9-8-10-13(14(12)16)18(20)21/h8-10H,2-7,11,16H2,1H3,(H,17,19)
InChIKeyGOLSTGRJZHBWNI-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.27
Rot. Bonds9

About 2-amino-3-nitro-N-octylbenzamide

2-amino-3-nitro-N-octylbenzamide (PubChem CID 115936915) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-3-nitro-N-octylbenzamide.

Molecular Properties

Compound Name2-amino-3-nitro-N-octylbenzamide
PubChem CID115936915
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-amino-3-nitro-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C15H23N3O3/c1-2-3-4-5-6-7-11-17-15(19)12-9-8-10-13(14(12)16)18(20)21/h8-10H,2-7,11,16H2,1H3,(H,17,19)
InChIKeyGOLSTGRJZHBWNI-UHFFFAOYSA-N
XLogP3.27
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-hydroxy-3-nitro-N-octylbenzamide
CID 107076295
2-amino-N-(3-ethoxypropyl)-3-nitrobenzamide
CID 112696624
2-(ethylamino)-3-nitro-N-pentylbenzamide
CID 115936323
2,3-diamino-N-hexadecylbenzamide
CID 68850287
N-(6-aminohexyl)-2-methyl-3-nitrobenzamide
CID 108786358
N-hexyl-3-methyl-2-nitrobenzamide
CID 4603212
N-hexadecyl-2-methyl-6-nitrobenzamide
CID 173399090
N-(4-aminobutyl)-2-methyl-3-nitrobenzamide
CID 60895227
2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 112699109
2-amino-N-(2-ethylbutyl)-3-nitrobenzamide
CID 115678977
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-nitrobenzamide
CID 103767889

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-nitro-N-octylbenzamide?
The IUPAC name of 2-amino-3-nitro-N-octylbenzamide (CID 115936915) is 2-amino-3-nitro-N-octylbenzamide.
What is the SMILES notation for 2-amino-3-nitro-N-octylbenzamide?
The canonical SMILES for 2-amino-3-nitro-N-octylbenzamide is CCCCCCCCNC(=O)c1cccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-3-nitro-N-octylbenzamide?
The InChIKey is GOLSTGRJZHBWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-3-4-5-6-7-11-17-15(19)12-9-8-10-13(14(12)16)18(20)21/h8-10H,2-7,11,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-3-nitro-N-octylbenzamide?
2-amino-3-nitro-N-octylbenzamide has a molecular weight of 293.37 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-nitro-N-octylbenzamide is sourced from PubChem (CID 115936915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).