N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide

C19H14N6O4 — CID 101459660

IUPACN'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide
SMILESO=[N+]([O-])c1ccc(/N=N/C(=N/Nc2ccccc2)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H14N6O4/c26-24(27)17-11-9-16(10-12-17)21-23-19(22-20-15-6-2-1-3-7-15)14-5-4-8-18(13-14)25(28)29/h1-13,20H/b22-19+,23-21+
InChIKeyPPWVCPNREAOPOR-FACDVXMNSA-N
MW390.36 g/mol
LogP5.06
Rot. Bonds6

About N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide

N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide (PubChem CID 101459660) has the molecular formula C19H14N6O4 and a molecular weight of 390.36 g/mol. Its IUPAC name is N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide.

Molecular Properties

Compound NameN'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide
PubChem CID101459660
Molecular FormulaC19H14N6O4
Molecular Weight390.36 g/mol
Exact Mass390.11
IUPAC NameN'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide
SMILESO=[N+]([O-])c1ccc(/N=N/C(=N/Nc2ccccc2)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H14N6O4/c26-24(27)17-11-9-16(10-12-17)21-23-19(22-20-15-6-2-1-3-7-15)14-5-4-8-18(13-14)25(28)29/h1-13,20H/b22-19+,23-21+
InChIKeyPPWVCPNREAOPOR-FACDVXMNSA-N
XLogP5.06
TPSA135.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.36
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide 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-[(Z)-[nitro(phenyl)methylidene]amino]aniline
CID 12706501
N'-[2-methoxy-4-[3-methoxy-4-[(2Z)-2-[[(4-nitrophenyl)diazenyl]-phenylmethylidene]hydrazinyl]phenyl]anilino]-N-(4-nitrophenyl)iminobenzenecarboximidamide
CID 170853634
N-[2-methoxy-4-[3-methoxy-4-[[N-(4-nitroanilino)-C-phenylcarbonimidoyl]diazenyl]phenyl]phenyl]imino-N'-(4-nitroanilino)benzenecarboximidamide
CID 4066202
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
N-(1,3-benzothiazol-2-ylimino)-3-methoxy-N'-(4-nitroanilino)benzenecarboximidamide
CID 154521485
N'-anilino-N-[4-(2-phenylethenyl)phenyl]iminobenzenecarboximidamide
CID 53413479
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
3-nitro-N-[(Z)-1-phenylpropylideneamino]aniline
CID 9077469
1-anilino-3-(4-nitrophenyl)iminothiourea
CID 4533380
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzoic acid
CID 3974625
(4-nitrophenyl)-phenyldiazene
CID 17222
[4-[(3-nitrobenzoyl)diazenyl]anilino] 3,5-dinitrobenzoate
CID 4659594

Frequently Asked Questions

What is the IUPAC name of N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide?
The IUPAC name of N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide (CID 101459660) is N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide.
What is the SMILES notation for N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide?
The canonical SMILES for N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide is O=[N+]([O-])c1ccc(/N=N/C(=N/Nc2ccccc2)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide?
The InChIKey is PPWVCPNREAOPOR-FACDVXMNSA-N. The full InChI is InChI=1S/C19H14N6O4/c26-24(27)17-11-9-16(10-12-17)21-23-19(22-20-15-6-2-1-3-7-15)14-5-4-8-18(13-14)25(28)29/h1-13,20H/b22-19+,23-21+.
What are the key properties of N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide?
N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide has a molecular weight of 390.36 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-anilino-3-nitro-N-(4-nitrophenyl)iminobenzenecarboximidamide is sourced from PubChem (CID 101459660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).