2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine

C14H12ClIN2 — CID 107629433

IUPAC2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(c1ccc(Cl)cc1I)C2
InChIInChI=1S/C14H12ClIN2/c15-11-2-4-14(13(16)6-11)18-7-9-1-3-12(17)5-10(9)8-18/h1-6H,7-8,17H2
InChIKeyWXLWKYONVUZIOD-UHFFFAOYSA-N
MW370.62 g/mol
LogP4.05
Rot. Bonds1

About 2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine

2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine (PubChem CID 107629433) has the molecular formula C14H12ClIN2 and a molecular weight of 370.62 g/mol. Its IUPAC name is 2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine
PubChem CID107629433
Molecular FormulaC14H12ClIN2
Molecular Weight370.62 g/mol
Exact Mass369.97
IUPAC Name2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine
SMILESNc1ccc2c(c1)CN(c1ccc(Cl)cc1I)C2
InChIInChI=1S/C14H12ClIN2/c15-11-2-4-14(13(16)6-11)18-7-9-1-3-12(17)5-10(9)8-18/h1-6H,7-8,17H2
InChIKeyWXLWKYONVUZIOD-UHFFFAOYSA-N
XLogP4.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.62
LogP ≤ 54.05
H-Bond Donors ≤ 51
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-(2-chloro-4-methylphenyl)-1,3-dihydroisoindol-5-amine
CID 43370216
2-(2,4-difluorophenyl)-1,3-dihydroisoindol-5-amine
CID 43370159
4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-iodoaniline
CID 66093315
2-(2-fluoro-5-methylphenyl)-1,3-dihydroisoindol-5-amine
CID 43370222
1-(4-chloro-2-iodophenyl)azepane
CID 107641046
2-(2,3,5-trifluorophenyl)-1,3-dihydroisoindol-5-amine
CID 55118847
5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane
CID 107641028
2-(2-bromo-4-methylphenyl)-1,3-dihydroisoindol-5-amine
CID 43175755
2-(4-chloro-2-iodophenyl)-2-azaspiro[3.4]octane
CID 107641023
4-[4-(2-fluorophenyl)piperazin-1-yl]-3-iodoaniline
CID 66094574
2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine
CID 114860770
1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione
CID 107640384

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine (CID 107629433) is 2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine is Nc1ccc2c(c1)CN(c1ccc(Cl)cc1I)C2.
What is the InChIKey of 2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine?
The InChIKey is WXLWKYONVUZIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2/c15-11-2-4-14(13(16)6-11)18-7-9-1-3-12(17)5-10(9)8-18/h1-6H,7-8,17H2.
What are the key properties of 2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine?
2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine has a molecular weight of 370.62 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 107629433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).