N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline

C13H10Cl2N4O2 — CID 3089882

IUPACN-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])ccc1N/N=N/c1c(Cl)cccc1Cl
InChIInChI=1S/C13H10Cl2N4O2/c1-8-7-9(19(20)21)5-6-12(8)16-18-17-13-10(14)3-2-4-11(13)15/h2-7H,1H3,(H,16,17)
InChIKeyFRSXLCZYHLTGCY-UHFFFAOYSA-N
MW325.16 g/mol
LogP5.32
Rot. Bonds4

About N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline

N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline (PubChem CID 3089882) has the molecular formula C13H10Cl2N4O2 and a molecular weight of 325.16 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline
PubChem CID3089882
Molecular FormulaC13H10Cl2N4O2
Molecular Weight325.16 g/mol
Exact Mass324.02
IUPAC NameN-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])ccc1N/N=N/c1c(Cl)cccc1Cl
InChIInChI=1S/C13H10Cl2N4O2/c1-8-7-9(19(20)21)5-6-12(8)16-18-17-13-10(14)3-2-4-11(13)15/h2-7H,1H3,(H,16,17)
InChIKeyFRSXLCZYHLTGCY-UHFFFAOYSA-N
XLogP5.32
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.16
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline 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-[(3-chlorophenyl)methyl]-2-methyl-4-nitroaniline
CID 43425365
N-chloro-2-methyl-4-nitroaniline
CID 134879883
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887
3-(2,6-dichlorophenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 2931896
8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine
CID 43832735
2-[2-(2-methyl-4-nitrophenyl)iminohydrazinyl]benzonitrile
CID 4660180
N-[(3,5-dichlorophenyl)methyl]-2-methyl-4-nitroaniline
CID 60789804
2-methoxy-N-[(E)-(5-methylthiophen-2-yl)diazenyl]-4-nitroaniline
CID 135080053
3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline
CID 2838871
N-(2-methyl-4-nitrophenyl)pyrrol-1-amine
CID 79106363
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
3-(3-chlorophenyl)-N-(2-methyl-4-nitrophenyl)propanamide
CID 19237296

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline?
The IUPAC name of N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline (CID 3089882) is N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline.
What is the SMILES notation for N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline?
The canonical SMILES for N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline is Cc1cc([N+](=O)[O-])ccc1N/N=N/c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline?
The InChIKey is FRSXLCZYHLTGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O2/c1-8-7-9(19(20)21)5-6-12(8)16-18-17-13-10(14)3-2-4-11(13)15/h2-7H,1H3,(H,16,17).
What are the key properties of N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline?
N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline has a molecular weight of 325.16 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)diazenyl]-2-methyl-4-nitroaniline is sourced from PubChem (CID 3089882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).