3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide

C19H21N3O3 — CID 5201298

IUPAC3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide
SMILESCCCCC(=NNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-3-4-10-17(15-8-6-5-7-9-15)20-21-19(23)16-11-12-18(22(24)25)14(2)13-16/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,23)
InChIKeyUOESRNXBWVAIMJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.23
Rot. Bonds7

About 3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide

3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide (PubChem CID 5201298) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide.

Molecular Properties

Compound Name3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide
PubChem CID5201298
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide
SMILESCCCCC(=NNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-3-4-10-17(15-8-6-5-7-9-15)20-21-19(23)16-11-12-18(22(24)25)14(2)13-16/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,23)
InChIKeyUOESRNXBWVAIMJ-UHFFFAOYSA-N
XLogP4.23
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

4-[(3-methyl-4-nitrobenzoyl)hydrazinylidene]-4-phenylbutanoic acid
CID 4135118
3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide
CID 3326267
3-fluoro-N-[(E)-1-phenylpentylideneamino]benzamide
CID 19685646
2-(2,4-dinitrophenyl)-N-[(E)-1-phenylpentylideneamino]acetamide
CID 6039314
3-methyl-4-nitro-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 3726967
3-methyl-N-(1-naphthalen-2-ylethylideneamino)-4-nitrobenzamide
CID 5109647
3-methyl-4-nitro-N-(pentylcarbamothioyl)benzamide
CID 18823027
N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 19685688
N-(heptan-4-ylideneamino)-4-methyl-3-nitrobenzamide
CID 4097722
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 3285738
4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
N-[1-(4-bromophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 4538116

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide?
The IUPAC name of 3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide (CID 5201298) is 3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide.
What is the SMILES notation for 3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide?
The canonical SMILES for 3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide is CCCCC(=NNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccccc1.
What is the InChIKey of 3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide?
The InChIKey is UOESRNXBWVAIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-4-10-17(15-8-6-5-7-9-15)20-21-19(23)16-11-12-18(22(24)25)14(2)13-16/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,23).
What are the key properties of 3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide?
3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide has a molecular weight of 339.40 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-N-(1-phenylpentylideneamino)benzamide is sourced from PubChem (CID 5201298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).