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

C12H10ClIN2 — CID 104834035

IUPAC3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine
SMILESNc1c(Cl)cccc1Nc1ccccc1I
InChIInChI=1S/C12H10ClIN2/c13-8-4-3-7-11(12(8)15)16-10-6-2-1-5-9(10)14/h1-7,16H,15H2
InChIKeyHWRBWQAPSFAULQ-UHFFFAOYSA-N
MW344.58 g/mol
LogP4.27
Rot. Bonds2

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

3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine (PubChem CID 104834035) has the molecular formula C12H10ClIN2 and a molecular weight of 344.58 g/mol. Its IUPAC name is 3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine
PubChem CID104834035
Molecular FormulaC12H10ClIN2
Molecular Weight344.58 g/mol
Exact Mass343.96
IUPAC Name3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine
SMILESNc1c(Cl)cccc1Nc1ccccc1I
InChIInChI=1S/C12H10ClIN2/c13-8-4-3-7-11(12(8)15)16-10-6-2-1-5-9(10)14/h1-7,16H,15H2
InChIKeyHWRBWQAPSFAULQ-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

2,6-dichloro-N-(2-iodophenyl)aniline
CID 175620459
1-N-(2-bromo-3-chlorophenyl)-3-chlorobenzene-1,2-diamine
CID 103477400
3-chloro-1-N-(4-chlorophenyl)benzene-1,2-diamine
CID 104834042
3-chloro-1-N-[2-(dimethylamino)phenyl]benzene-1,2-diamine
CID 106759458
3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine
CID 104834056
2-amino-3-(2-iodoanilino)benzamide
CID 113332546
3-chloro-1-N-(2,4,5-trifluorophenyl)benzene-1,2-diamine
CID 104834471
3-chloro-1-N-(2,4-difluorophenyl)benzene-1,2-diamine
CID 104834051
2-chloro-6-(2-iodophenoxy)aniline
CID 104835012
7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine
CID 43305001
6-chloro-2-N-(2-iodophenyl)pyridine-2,3-diamine
CID 115473632
1-N-tert-butyl-3-chlorobenzene-1,2-diamine
CID 68721117

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine (CID 104834035) is 3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine is Nc1c(Cl)cccc1Nc1ccccc1I.
What is the InChIKey of 3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine?
The InChIKey is HWRBWQAPSFAULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2/c13-8-4-3-7-11(12(8)15)16-10-6-2-1-5-9(10)14/h1-7,16H,15H2.
What are the key properties of 3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine?
3-chloro-1-N-(2-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-1-N-(2-iodophenyl)benzene-1,2-diamine is sourced from PubChem (CID 104834035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).