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

C15H13N3O3 — CID 715758

IUPACN-[1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O3/c1-11(12-7-9-14(10-8-12)18(20)21)16-17-15(19)13-5-3-2-4-6-13/h2-10H,1H3,(H,17,19)
InChIKeyGDFZLMPTXIVTCE-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.75
Rot. Bonds4

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

N-[1-(4-nitrophenyl)ethylideneamino]benzamide (PubChem CID 715758) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[1-(4-nitrophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[1-(4-nitrophenyl)ethylideneamino]benzamide
PubChem CID715758
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[1-(4-nitrophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O3/c1-11(12-7-9-14(10-8-12)18(20)21)16-17-15(19)13-5-3-2-4-6-13/h2-10H,1H3,(H,17,19)
InChIKeyGDFZLMPTXIVTCE-UHFFFAOYSA-N
XLogP2.75
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.75
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-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
CID 9014822
3-bromo-N-[(E)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 7183815
3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 1070769
2-amino-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 796032
N-[1-(3-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 4185393
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3328905
N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6105906
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide
CID 54785337

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The IUPAC name of N-[1-(4-nitrophenyl)ethylideneamino]benzamide (CID 715758) is N-[1-(4-nitrophenyl)ethylideneamino]benzamide.
What is the SMILES notation for N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The canonical SMILES for N-[1-(4-nitrophenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
The InChIKey is GDFZLMPTXIVTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-11(12-7-9-14(10-8-12)18(20)21)16-17-15(19)13-5-3-2-4-6-13/h2-10H,1H3,(H,17,19).
What are the key properties of N-[1-(4-nitrophenyl)ethylideneamino]benzamide?
N-[1-(4-nitrophenyl)ethylideneamino]benzamide has a molecular weight of 283.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-nitrophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 715758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).