2-nitro-N'-phenylethanimidamide

C8H9N3O2 — CID 91150003

IUPAC2-nitro-N'-phenylethanimidamide
SMILESN/C(C[N+](=O)[O-])=N/c1ccccc1
InChIInChI=1S/C8H9N3O2/c9-8(6-11(12)13)10-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKeyATQZFGISKHMCLH-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.95
Rot. Bonds3

About 2-nitro-N'-phenylethanimidamide

2-nitro-N'-phenylethanimidamide (PubChem CID 91150003) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-nitro-N'-phenylethanimidamide.

Molecular Properties

Compound Name2-nitro-N'-phenylethanimidamide
PubChem CID91150003
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2-nitro-N'-phenylethanimidamide
SMILESN/C(C[N+](=O)[O-])=N/c1ccccc1
InChIInChI=1S/C8H9N3O2/c9-8(6-11(12)13)10-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKeyATQZFGISKHMCLH-UHFFFAOYSA-N
XLogP0.95
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.95
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 2-nitro-N'-phenylethanimidamide 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

1-hydroxy-2-phenylguanidine;nitric acid
CID 173298305
(Z)-(2-nitro-1-phenylethylidene)hydrazine
CID 129410333
bis(2-phenylguanidine);dihydrochloride
CID 160984545
2-nitro-1-phenyliminoguanidine
CID 5476227
2-[(2-methylpropan-2-yl)oxy]-N'-phenylethanimidamide
CID 173184422
ethanol;2-phenylguanidine
CID 172840613
N'-(4-phenylphenyl)propanimidamide
CID 63178783
2-(2-nitrophenyl)-N,1-diphenylethanimine
CID 141478999
1-chloro-1,3-dinitro-1-phenylpropan-2-one
CID 141190264
2-nitro-N-phenylbenzenecarboximidoyl chloride
CID 13213133
(2-nitrophenyl) N-phenylbenzenecarboximidate
CID 21233958
N'-(4-anilino-3-nitrophenyl)-2-chloroethanimidamide
CID 169365206

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N'-phenylethanimidamide?
The IUPAC name of 2-nitro-N'-phenylethanimidamide (CID 91150003) is 2-nitro-N'-phenylethanimidamide.
What is the SMILES notation for 2-nitro-N'-phenylethanimidamide?
The canonical SMILES for 2-nitro-N'-phenylethanimidamide is N/C(C[N+](=O)[O-])=N/c1ccccc1.
What is the InChIKey of 2-nitro-N'-phenylethanimidamide?
The InChIKey is ATQZFGISKHMCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-8(6-11(12)13)10-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10).
What are the key properties of 2-nitro-N'-phenylethanimidamide?
2-nitro-N'-phenylethanimidamide has a molecular weight of 179.18 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N'-phenylethanimidamide is sourced from PubChem (CID 91150003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).