N-(2-nitroanilino)formamide

C7H7N3O3 — CID 3674192

IUPACN-(2-nitroanilino)formamide
SMILESO=CNNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O3/c11-5-8-9-6-3-1-2-4-7(6)10(12)13/h1-5,9H,(H,8,11)
InChIKeyPOYBFMZEAPIAGM-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.67
Rot. Bonds4

About N-(2-nitroanilino)formamide

N-(2-nitroanilino)formamide (PubChem CID 3674192) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is N-(2-nitroanilino)formamide.

Molecular Properties

Compound NameN-(2-nitroanilino)formamide
PubChem CID3674192
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC NameN-(2-nitroanilino)formamide
SMILESO=CNNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O3/c11-5-8-9-6-3-1-2-4-7(6)10(12)13/h1-5,9H,(H,8,11)
InChIKeyPOYBFMZEAPIAGM-UHFFFAOYSA-N
XLogP0.67
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-nitroanilino)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

1-chloro-2-(2-nitrophenyl)hydrazine
CID 88943642
N-(2-nitrophenyl)thiohydroxylamine
CID 59024861
2-nitro-N-[(E)-[(2Z)-2-[(2-nitrophenyl)hydrazinylidene]ethylidene]amino]aniline
CID 27137964
N'-(2-nitrophenyl)benzohydrazide
CID 3718054
N-(methylsulfamoyl)-2-nitroaniline
CID 127505599
(E)-N'-(2-nitrophenyl)-3-phenylprop-2-enehydrazide
CID 6132769
2-nitro-N-[2-[2-[2-(2-nitroanilino)ethoxy]ethoxy]ethyl]aniline
CID 19710464
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
azane;2-nitro-N-propan-2-ylaniline
CID 174872000
N,N'-bis(2-nitrophenyl)octane-1,8-diamine
CID 71442066
2-(2-nitrophenyl)-1,1-diphenylhydrazine
CID 23118944
N,N'-bis(2-nitrophenyl)pentane-1,5-diamine
CID 86062096

Frequently Asked Questions

What is the IUPAC name of N-(2-nitroanilino)formamide?
The IUPAC name of N-(2-nitroanilino)formamide (CID 3674192) is N-(2-nitroanilino)formamide.
What is the SMILES notation for N-(2-nitroanilino)formamide?
The canonical SMILES for N-(2-nitroanilino)formamide is O=CNNc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitroanilino)formamide?
The InChIKey is POYBFMZEAPIAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c11-5-8-9-6-3-1-2-4-7(6)10(12)13/h1-5,9H,(H,8,11).
What are the key properties of N-(2-nitroanilino)formamide?
N-(2-nitroanilino)formamide has a molecular weight of 181.15 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitroanilino)formamide is sourced from PubChem (CID 3674192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).