4-iodo-2-methyl-N-(4-nitrophenyl)aniline

C13H11IN2O2 — CID 4763873

IUPAC4-iodo-2-methyl-N-(4-nitrophenyl)aniline
SMILESCc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11IN2O2/c1-9-8-10(14)2-7-13(9)15-11-3-5-12(6-4-11)16(17)18/h2-8,15H,1H3
InChIKeyUHLRSHQDOARFKS-UHFFFAOYSA-N
MW354.15 g/mol
LogP4.25
Rot. Bonds3

About 4-iodo-2-methyl-N-(4-nitrophenyl)aniline

4-iodo-2-methyl-N-(4-nitrophenyl)aniline (PubChem CID 4763873) has the molecular formula C13H11IN2O2 and a molecular weight of 354.15 g/mol. Its IUPAC name is 4-iodo-2-methyl-N-(4-nitrophenyl)aniline.

Molecular Properties

Compound Name4-iodo-2-methyl-N-(4-nitrophenyl)aniline
PubChem CID4763873
Molecular FormulaC13H11IN2O2
Molecular Weight354.15 g/mol
Exact Mass353.99
IUPAC Name4-iodo-2-methyl-N-(4-nitrophenyl)aniline
SMILESCc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11IN2O2/c1-9-8-10(14)2-7-13(9)15-11-3-5-12(6-4-11)16(17)18/h2-8,15H,1H3
InChIKeyUHLRSHQDOARFKS-UHFFFAOYSA-N
XLogP4.25
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-iodo-2-methyl-N-(4-nitrophenyl)aniline 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-(2-methyl-4-nitroanilino)benzoic acid
CID 43358878
1-(2-methyl-4-nitrophenyl)-2-(4-nitrophenyl)hydrazine
CID 57020323
[4-(2-methyl-4-nitroanilino)phenyl]-phenylmethanone
CID 18358129
4-iodo-2-methyl-N-[1-(3-nitrophenyl)ethyl]aniline
CID 43226863
2-methoxy-1-N,1-N,5-trimethyl-4-N-(4-nitrophenyl)benzene-1,4-diamine
CID 91741665
N-(4-iodo-2-methylphenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 60533112
N-(2,4-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2711951
N-(4-chloro-2-methylphenyl)-3-iodo-4-nitroaniline
CID 114256275
4-N-(2,4-dinitrophenyl)-1-N-methylbenzene-1,4-diamine
CID 102249231
1-bromo-2-[4-(4-iodo-2-methylanilino)phenyl]ethanol
CID 174440722
2-(2,4-dimethylanilino)-5-nitrobenzonitrile
CID 9187363
4-methoxy-2-nitro-N-(4-nitrophenyl)aniline
CID 86676152

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methyl-N-(4-nitrophenyl)aniline?
The IUPAC name of 4-iodo-2-methyl-N-(4-nitrophenyl)aniline (CID 4763873) is 4-iodo-2-methyl-N-(4-nitrophenyl)aniline.
What is the SMILES notation for 4-iodo-2-methyl-N-(4-nitrophenyl)aniline?
The canonical SMILES for 4-iodo-2-methyl-N-(4-nitrophenyl)aniline is Cc1cc(I)ccc1Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-iodo-2-methyl-N-(4-nitrophenyl)aniline?
The InChIKey is UHLRSHQDOARFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O2/c1-9-8-10(14)2-7-13(9)15-11-3-5-12(6-4-11)16(17)18/h2-8,15H,1H3.
What are the key properties of 4-iodo-2-methyl-N-(4-nitrophenyl)aniline?
4-iodo-2-methyl-N-(4-nitrophenyl)aniline has a molecular weight of 354.15 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methyl-N-(4-nitrophenyl)aniline is sourced from PubChem (CID 4763873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).