2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine

C14H13N5O2 — CID 168591416

IUPAC2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H13N5O2/c15-14(16)18-17-9-11-4-1-2-7-13(11)10-5-3-6-12(8-10)19(20)21/h1-9H,(H4,15,16,18)
InChIKeyIMANZTUDOWLJFT-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.87
Rot. Bonds4

About 2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine

2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine (PubChem CID 168591416) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine
PubChem CID168591416
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H13N5O2/c15-14(16)18-17-9-11-4-1-2-7-13(11)10-5-3-6-12(8-10)19(20)21/h1-9H,(H4,15,16,18)
InChIKeyIMANZTUDOWLJFT-UHFFFAOYSA-N
XLogP1.87
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[(2-chloro-5-nitrophenyl)methylideneamino]guanidine
CID 66841899
2-[(Z)-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride
CID 54612616
2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 70180753
4-[2-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-2-fluorobenzoic acid
CID 168592803
2-[(E)-[2-chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 57393798
2-[(E)-[1-(2,4-dinitrophenyl)-3-(2-fluorophenyl)pyrazol-4-yl]methylideneamino]guanidine
CID 122194143
formic acid;1-nitro-3-phenylbenzene
CID 158057338
2-[[2-(4-methoxyphenyl)phenyl]methylideneamino]guanidine
CID 168590573
2-[[2-(furan-2-yl)phenyl]methylideneamino]guanidine
CID 168593020
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
2-methoxy-3-(3-nitrophenyl)benzaldehyde;2-methoxy-3-phenylbenzaldehyde
CID 160754801
1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine
CID 3664768

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine (CID 168591416) is 2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccccc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine?
The InChIKey is IMANZTUDOWLJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-14(16)18-17-9-11-4-1-2-7-13(11)10-5-3-6-12(8-10)19(20)21/h1-9H,(H4,15,16,18).
What are the key properties of 2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine?
2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine has a molecular weight of 283.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-nitrophenyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168591416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).