N-[[amino-(4-nitrophenyl)methylidene]amino]formamide

C8H8N4O3 — CID 131741178

IUPACN-[[amino-(4-nitrophenyl)methylidene]amino]formamide
SMILESNC(=NNC=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8N4O3/c9-8(11-10-5-13)6-1-3-7(4-2-6)12(14)15/h1-5H,(H2,9,11)(H,10,13)
InChIKeyDQFJCKSSEODPOP-UHFFFAOYSA-N
MW208.18 g/mol
LogP-0.04
Rot. Bonds4

About N-[[amino-(4-nitrophenyl)methylidene]amino]formamide

N-[[amino-(4-nitrophenyl)methylidene]amino]formamide (PubChem CID 131741178) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is N-[[amino-(4-nitrophenyl)methylidene]amino]formamide.

Molecular Properties

Compound NameN-[[amino-(4-nitrophenyl)methylidene]amino]formamide
PubChem CID131741178
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC NameN-[[amino-(4-nitrophenyl)methylidene]amino]formamide
SMILESNC(=NNC=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8N4O3/c9-8(11-10-5-13)6-1-3-7(4-2-6)12(14)15/h1-5H,(H2,9,11)(H,10,13)
InChIKeyDQFJCKSSEODPOP-UHFFFAOYSA-N
XLogP-0.04
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[[amino-(4-nitrophenyl)methylidene]amino]formamide 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
N-formyl-4-nitrobenzamide
CID 12550339
[[amino-(4-nitrophenyl)methylidene]amino] hydrogen carbonate
CID 91326336
N-(diaminomethylideneamino)-4-nitrobenzamide
CID 10632849
4-amino-N'-[2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 54412379
4-nitro-N'-[4-(trifluoromethoxy)anilino]benzenecarboximidamide
CID 90409045
N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 13000099
ethane;N-[(E)-[2-methyl-1-(3-nitrophenyl)propylidene]amino]formamide
CID 142269651
N-[[amino(nitramido)methylidene]amino]-4-nitrobenzamide
CID 74219905
1-nitro-4-(1,2,2-triiodoethenyl)benzene
CID 3671977
1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine
CID 69016333
4-(4-nitroanilino)benzamide
CID 11265357

Frequently Asked Questions

What is the IUPAC name of N-[[amino-(4-nitrophenyl)methylidene]amino]formamide?
The IUPAC name of N-[[amino-(4-nitrophenyl)methylidene]amino]formamide (CID 131741178) is N-[[amino-(4-nitrophenyl)methylidene]amino]formamide.
What is the SMILES notation for N-[[amino-(4-nitrophenyl)methylidene]amino]formamide?
The canonical SMILES for N-[[amino-(4-nitrophenyl)methylidene]amino]formamide is NC(=NNC=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[[amino-(4-nitrophenyl)methylidene]amino]formamide?
The InChIKey is DQFJCKSSEODPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c9-8(11-10-5-13)6-1-3-7(4-2-6)12(14)15/h1-5H,(H2,9,11)(H,10,13).
What are the key properties of N-[[amino-(4-nitrophenyl)methylidene]amino]formamide?
N-[[amino-(4-nitrophenyl)methylidene]amino]formamide has a molecular weight of 208.18 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[amino-(4-nitrophenyl)methylidene]amino]formamide is sourced from PubChem (CID 131741178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).