N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide

C21H19N3O2 — CID 4779414

IUPACN,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide
SMILESCc1ccccc1/N=C(/Nc1ccccc1C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H19N3O2/c1-15-7-3-5-9-19(15)22-21(23-20-10-6-4-8-16(20)2)17-11-13-18(14-12-17)24(25)26/h3-14H,1-2H3,(H,22,23)
InChIKeyRLJFMLWFTJSJAC-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.40
Rot. Bonds4

About N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide

N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide (PubChem CID 4779414) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide.

Molecular Properties

Compound NameN,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide
PubChem CID4779414
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide
SMILESCc1ccccc1/N=C(/Nc1ccccc1C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H19N3O2/c1-15-7-3-5-9-19(15)22-21(23-20-10-6-4-8-16(20)2)17-11-13-18(14-12-17)24(25)26/h3-14H,1-2H3,(H,22,23)
InChIKeyRLJFMLWFTJSJAC-UHFFFAOYSA-N
XLogP5.40
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.40
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,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide 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

N-hydroxy-N'-(2-methylphenyl)-3-nitrobenzenecarboximidamide
CID 4121047
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
N'-(2-methylphenyl)-N-(4-methylphenyl)benzenecarboximidamide
CID 3332745
(E)-3-hydroxy-N-(2-methylphenyl)-2-[(4-nitrophenyl)diazenyl]but-2-enamide
CID 139063434
N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide
CID 2989529
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38770498
acetic acid;1,2-bis(2-methylphenyl)guanidine
CID 160854655
3-amino-N-(2-methylphenyl)-4-nitrobenzamide
CID 62682473
N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide
CID 141373878
N-[4-[1-(2-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-nitrobenzamide
CID 22780324

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide?
The IUPAC name of N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide (CID 4779414) is N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide.
What is the SMILES notation for N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide?
The canonical SMILES for N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide is Cc1ccccc1/N=C(/Nc1ccccc1C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide?
The InChIKey is RLJFMLWFTJSJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-15-7-3-5-9-19(15)22-21(23-20-10-6-4-8-16(20)2)17-11-13-18(14-12-17)24(25)26/h3-14H,1-2H3,(H,22,23).
What are the key properties of N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide?
N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide has a molecular weight of 345.40 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methylphenyl)-4-nitrobenzenecarboximidamide is sourced from PubChem (CID 4779414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).