4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine

C12H11ClIN3 — CID 114258531

IUPAC4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine
SMILESNc1ccc(Nc2cc(I)ccc2Cl)cc1N
InChIInChI=1S/C12H11ClIN3/c13-9-3-1-7(14)5-12(9)17-8-2-4-10(15)11(16)6-8/h1-6,17H,15-16H2
InChIKeyMLKCUIZPASPLGJ-UHFFFAOYSA-N
MW359.60 g/mol
LogP3.85
Rot. Bonds2

About 4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine

4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine (PubChem CID 114258531) has the molecular formula C12H11ClIN3 and a molecular weight of 359.60 g/mol. Its IUPAC name is 4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine
PubChem CID114258531
Molecular FormulaC12H11ClIN3
Molecular Weight359.60 g/mol
Exact Mass358.97
IUPAC Name4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine
SMILESNc1ccc(Nc2cc(I)ccc2Cl)cc1N
InChIInChI=1S/C12H11ClIN3/c13-9-3-1-7(14)5-12(9)17-8-2-4-10(15)11(16)6-8/h1-6,17H,15-16H2
InChIKeyMLKCUIZPASPLGJ-UHFFFAOYSA-N
XLogP3.85
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(2-chloro-5-iodoanilino)benzonitrile
CID 114258527
4-N-(2,3-dichlorophenyl)benzene-1,2,4-triamine
CID 106750347
4-iodo-1-N-(2,4,5-trichlorophenyl)benzene-1,2-diamine
CID 66066255
4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine
CID 62913398
1-N-(6-chloro-3-pyridinyl)-4-iodobenzene-1,2-diamine
CID 156571441
2-amino-4-(2-chloro-5-fluoroanilino)benzoic acid
CID 107531021
2-amino-4-(2,5-dichloroanilino)-N-methylbenzenesulfonamide
CID 80640845
4-(5-amino-2-chloroanilino)-2-chlorobenzamide
CID 62944720
3-N-(2-chloro-5-fluorophenyl)benzene-1,3-diamine
CID 107526846
1-N-(3-bromo-4-iodophenyl)-4-iodobenzene-1,2-diamine
CID 114261880
4-N-(4-anilinophenyl)benzene-1,2,4-triamine
CID 57184309
4-(2-chloro-4-iodoanilino)-2-fluorobenzenecarbothioamide
CID 107606762

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine (CID 114258531) is 4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine is Nc1ccc(Nc2cc(I)ccc2Cl)cc1N.
What is the InChIKey of 4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine?
The InChIKey is MLKCUIZPASPLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClIN3/c13-9-3-1-7(14)5-12(9)17-8-2-4-10(15)11(16)6-8/h1-6,17H,15-16H2.
What are the key properties of 4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine?
4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine has a molecular weight of 359.60 g/mol, XLogP of 3.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-5-iodophenyl)benzene-1,2,4-triamine is sourced from PubChem (CID 114258531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).