N-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide

C21H16N2O3 — CID 166632524

IUPACN-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C21H16N2O3/c24-21(18-9-2-1-3-10-18)22-20-12-5-4-8-17(20)14-13-16-7-6-11-19(15-16)23(25)26/h1-15H,(H,22,24)/b14-13+
InChIKeyPHNJZUTVNTWWGR-BUHFOSPRSA-N
MW344.37 g/mol
LogP5.02
Rot. Bonds5

About N-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide

N-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide (PubChem CID 166632524) has the molecular formula C21H16N2O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide
PubChem CID166632524
Molecular FormulaC21H16N2O3
Molecular Weight344.37 g/mol
Exact Mass344.12
IUPAC NameN-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C21H16N2O3/c24-21(18-9-2-1-3-10-18)22-20-12-5-4-8-17(20)14-13-16-7-6-11-19(15-16)23(25)26/h1-15H,(H,22,24)/b14-13+
InChIKeyPHNJZUTVNTWWGR-BUHFOSPRSA-N
XLogP5.02
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide?
The IUPAC name of N-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide (CID 166632524) is N-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide.
What is the SMILES notation for N-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide?
The canonical SMILES for N-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide is O=C(Nc1ccccc1/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of N-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide?
The InChIKey is PHNJZUTVNTWWGR-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H16N2O3/c24-21(18-9-2-1-3-10-18)22-20-12-5-4-8-17(20)14-13-16-7-6-11-19(15-16)23(25)26/h1-15H,(H,22,24)/b14-13+.
What are the key properties of N-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide?
N-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide has a molecular weight of 344.37 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]benzamide is sourced from PubChem (CID 166632524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).