7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol

C15H10BrClF2N2O — CID 90706993

IUPAC7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol
SMILESCc1[nH]c(O)c2c(Nc3ccc(Br)cc3Cl)c(F)c(F)cc12
InChIInChI=1S/C15H10BrClF2N2O/c1-6-8-5-10(18)13(19)14(12(8)15(22)20-6)21-11-3-2-7(16)4-9(11)17/h2-5,20-22H,1H3
InChIKeyGCKLZISJPZZSDN-UHFFFAOYSA-N
MW387.61 g/mol
LogP5.62
Rot. Bonds2

About 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol

7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol (PubChem CID 90706993) has the molecular formula C15H10BrClF2N2O and a molecular weight of 387.61 g/mol. Its IUPAC name is 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol.

Molecular Properties

Compound Name7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol
PubChem CID90706993
Molecular FormulaC15H10BrClF2N2O
Molecular Weight387.61 g/mol
Exact Mass385.96
IUPAC Name7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol
SMILESCc1[nH]c(O)c2c(Nc3ccc(Br)cc3Cl)c(F)c(F)cc12
InChIInChI=1S/C15H10BrClF2N2O/c1-6-8-5-10(18)13(19)14(12(8)15(22)20-6)21-11-3-2-7(16)4-9(11)17/h2-5,20-22H,1H3
InChIKeyGCKLZISJPZZSDN-UHFFFAOYSA-N
XLogP5.62
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-5-Bromo-3-[2-(3-chloro-4-fluorophenyl)hydrazin-1-ylidene]-2,3-dihydro-1H-indol-2-one
CID 4212318
7-(2-chloro-4-iodoanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol
CID 90956586
5-bromo-3-[(3-chloro-4-fluorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006309
3-[(4-bromophenyl)iminomethyl]-6-chloro-1H-indol-2-ol
CID 135550089
3-[N-(4-bromophenyl)-C-phenylcarbonimidoyl]-6-chloro-1H-indol-2-ol
CID 136408551
5-amino-3-[N-(4-bromo-3-chlorophenyl)-C-methylcarbonimidoyl]-1H-indol-2-ol
CID 136434059
3-(4-bromo-2-chlorophenyl)-1H-indol-2-ol
CID 141018369
5-bromo-3-[(2-chlorophenyl)diazenyl]-1H-indol-2-ol
CID 135775296
3-[(4-bromo-3-methylphenyl)diazenyl]-5-chloro-1H-indol-2-ol
CID 136702304
3-[(4-bromophenyl)iminomethyl]-5-chloro-1H-indol-2-ol
CID 136996228
3-[(4-bromo-3-methylphenyl)iminomethyl]-5-chloro-1H-indol-2-ol
CID 136996261
5-bromo-3-[(2-chlorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006302

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol?
The IUPAC name of 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol (CID 90706993) is 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol.
What is the SMILES notation for 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol?
The canonical SMILES for 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol is Cc1[nH]c(O)c2c(Nc3ccc(Br)cc3Cl)c(F)c(F)cc12.
What is the InChIKey of 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol?
The InChIKey is GCKLZISJPZZSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2N2O/c1-6-8-5-10(18)13(19)14(12(8)15(22)20-6)21-11-3-2-7(16)4-9(11)17/h2-5,20-22H,1H3.
What are the key properties of 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol?
7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol has a molecular weight of 387.61 g/mol, XLogP of 5.62, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2H-isoindol-1-ol is sourced from PubChem (CID 90706993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).