2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione

C14H8BrClN2O2 — CID 43345931

IUPAC2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione
SMILESNc1ccc(Cl)cc1N1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C14H8BrClN2O2/c15-7-1-3-9-10(5-7)14(20)18(13(9)19)12-6-8(16)2-4-11(12)17/h1-6H,17H2
InChIKeyDDAJPGZJHQHENW-UHFFFAOYSA-N
MW351.59 g/mol
LogP3.49
Rot. Bonds1

About 2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione

2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione (PubChem CID 43345931) has the molecular formula C14H8BrClN2O2 and a molecular weight of 351.59 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione
PubChem CID43345931
Molecular FormulaC14H8BrClN2O2
Molecular Weight351.59 g/mol
Exact Mass349.95
IUPAC Name2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione
SMILESNc1ccc(Cl)cc1N1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C14H8BrClN2O2/c15-7-1-3-9-10(5-7)14(20)18(13(9)19)12-6-8(16)2-4-11(12)17/h1-6H,17H2
InChIKeyDDAJPGZJHQHENW-UHFFFAOYSA-N
XLogP3.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.59
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-chlorophenyl)-5-methylisoindole-1,3-dione
CID 43345930
2-(5-amino-2-fluorophenyl)-5-bromoisoindole-1,3-dione
CID 43167704
2-(2-bromo-5-chlorophenyl)-5-methylisoindole-1,3-dione
CID 81274397
4-bromobenzene-1,2-diamine;4-chlorobenzene-1,2-diamine
CID 158945320
5-amino-2-(4-bromo-2-ethylphenyl)isoindole-1,3-dione
CID 81289908
1-(2-amino-5-chlorophenyl)-3-methoxy-4-phenylpyrrole-2,5-dione
CID 134879398
N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide
CID 4548391
5-bromo-2-(4-bromo-2,6-dimethylphenyl)isoindole-1,3-dione
CID 60976544
(3aR,7aS)-2-(2-amino-5-chlorophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 30121995
2-(2,4-dibromophenyl)-5-fluoroisoindole-1,3-dione
CID 1103022
2-(2,5-dibromophenyl)-5-methylisoindole-1,3-dione
CID 17132722
4-chloro-2-pyrrolidin-1-ylaniline
CID 58812033

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione?
The IUPAC name of 2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione (CID 43345931) is 2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione is Nc1ccc(Cl)cc1N1C(=O)c2ccc(Br)cc2C1=O.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione?
The InChIKey is DDAJPGZJHQHENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O2/c15-7-1-3-9-10(5-7)14(20)18(13(9)19)12-6-8(16)2-4-11(12)17/h1-6H,17H2.
What are the key properties of 2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione?
2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione has a molecular weight of 351.59 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)-5-bromoisoindole-1,3-dione is sourced from PubChem (CID 43345931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).