3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine

C12H10ClIN2 — CID 29067112

IUPAC3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine
SMILESNc1cccc(Cl)c1Nc1cccc(I)c1
InChIInChI=1S/C12H10ClIN2/c13-10-5-2-6-11(15)12(10)16-9-4-1-3-8(14)7-9/h1-7,16H,15H2
InChIKeyBFISLOKWTZCURL-UHFFFAOYSA-N
MW344.58 g/mol
LogP4.27
Rot. Bonds2

About 3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine

3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine (PubChem CID 29067112) has the molecular formula C12H10ClIN2 and a molecular weight of 344.58 g/mol. Its IUPAC name is 3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine
PubChem CID29067112
Molecular FormulaC12H10ClIN2
Molecular Weight344.58 g/mol
Exact Mass343.96
IUPAC Name3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine
SMILESNc1cccc(Cl)c1Nc1cccc(I)c1
InChIInChI=1S/C12H10ClIN2/c13-10-5-2-6-11(15)12(10)16-9-4-1-3-8(14)7-9/h1-7,16H,15H2
InChIKeyBFISLOKWTZCURL-UHFFFAOYSA-N
XLogP4.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-N-[3-(dimethylamino)phenyl]benzene-1,2-diamine
CID 113297464
3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 43148696
3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine
CID 54964711
3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine
CID 29067270
3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066564
5-chloro-N-(3-iodophenyl)pyridin-2-amine
CID 66220543
3-chloro-2-N-[3-chloro-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 116698695
3,5-dichloro-6-hydrazinyl-N-(3-iodophenyl)pyridin-2-amine
CID 102762322
2-chloro-4-(3-iodoanilino)benzenecarbothioamide
CID 62948621
6-chloro-N-(3-iodophenyl)pyridazin-3-amine
CID 43090226
3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine
CID 29066424
3-chloro-2-N-(2-chloro-4-fluorophenyl)benzene-1,2-diamine
CID 29080237

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine (CID 29067112) is 3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine is Nc1cccc(Cl)c1Nc1cccc(I)c1.
What is the InChIKey of 3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine?
The InChIKey is BFISLOKWTZCURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2/c13-10-5-2-6-11(15)12(10)16-9-4-1-3-8(14)7-9/h1-7,16H,15H2.
What are the key properties of 3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine?
3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine has a molecular weight of 344.58 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(3-iodophenyl)benzene-1,2-diamine is sourced from PubChem (CID 29067112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).