3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide

C15H12N4O5 — CID 4148309

IUPAC3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O5/c1-10(11-5-7-13(8-6-11)18(21)22)16-17-15(20)12-3-2-4-14(9-12)19(23)24/h2-9H,1H3,(H,17,20)
InChIKeyDJOGRGJSNBGFKD-UHFFFAOYSA-N
MW328.28 g/mol
LogP2.66
Rot. Bonds5

About 3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide

3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide (PubChem CID 4148309) has the molecular formula C15H12N4O5 and a molecular weight of 328.28 g/mol. Its IUPAC name is 3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
PubChem CID4148309
Molecular FormulaC15H12N4O5
Molecular Weight328.28 g/mol
Exact Mass328.08
IUPAC Name3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O5/c1-10(11-5-7-13(8-6-11)18(21)22)16-17-15(20)12-3-2-4-14(9-12)19(23)24/h2-9H,1H3,(H,17,20)
InChIKeyDJOGRGJSNBGFKD-UHFFFAOYSA-N
XLogP2.66
TPSA127.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-nitrobenzamide
CID 5448440
3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 1070769
N-[1-(4-tert-butylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3383793
3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 7183815
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 6005779
4-bromo-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6067087
4-bromo-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 7350323
3-nitro-N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 6285888

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The IUPAC name of 3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide (CID 4148309) is 3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The canonical SMILES for 3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The InChIKey is DJOGRGJSNBGFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O5/c1-10(11-5-7-13(8-6-11)18(21)22)16-17-15(20)12-3-2-4-14(9-12)19(23)24/h2-9H,1H3,(H,17,20).
What are the key properties of 3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide has a molecular weight of 328.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 4148309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).