N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide

C15H13N3O2 — CID 13000099

IUPACN'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
SMILESN/C(=N\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C15H13N3O2/c16-15(13-4-2-1-3-5-13)17-11-10-12-6-8-14(9-7-12)18(19)20/h1-11H,(H2,16,17)/b11-10+
InChIKeyMSBPGJBBOKMEEC-ZHACJKMWSA-N
MW267.29 g/mol
LogP2.97
Rot. Bonds4

About N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide

N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide (PubChem CID 13000099) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
PubChem CID13000099
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
SMILESN/C(=N\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C15H13N3O2/c16-15(13-4-2-1-3-5-13)17-11-10-12-6-8-14(9-7-12)18(19)20/h1-11H,(H2,16,17)/b11-10+
InChIKeyMSBPGJBBOKMEEC-ZHACJKMWSA-N
XLogP2.97
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 23469562
4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 54412379
N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylbenzenecarboximidamide
CID 23469557
N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
CID 70171064
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(E)-2-phenylethenyl]benzenecarboximidamide
CID 88763345
4-(dimethylamino)-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide;2-hydroxyethanesulfonic acid
CID 74054381
N'-[(E)-2-(4-nitrophenyl)ethenyl]sulfonyl-4-[(1E)-1-phenylbuta-1,3-dienyl]benzenecarboximidamide
CID 173437378
4-amino-N'-[(E)-2-(4-aminophenyl)ethenyl]benzenecarboximidamide
CID 23469521
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide?
The IUPAC name of N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide (CID 13000099) is N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide?
The canonical SMILES for N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide is N/C(=N\C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide?
The InChIKey is MSBPGJBBOKMEEC-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-15(13-4-2-1-3-5-13)17-11-10-12-6-8-14(9-7-12)18(19)20/h1-11H,(H2,16,17)/b11-10+.
What are the key properties of N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide?
N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide has a molecular weight of 267.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide is sourced from PubChem (CID 13000099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).