7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2,3-dihydroisoindol-1-one

C15H10BrClF2N2O — CID 11361222

IUPAC7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2,3-dihydroisoindol-1-one
SMILESCC1NC(=O)c2c1cc(F)c(F)c2Nc1ccc(Br)cc1Cl
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/h2-6,21H,1H3,(H,20,22)
InChIKeyLPNZFJBZXQVIKT-UHFFFAOYSA-N
MW387.61 g/mol
LogP4.93
Rot. Bonds2

About 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2,3-dihydroisoindol-1-one

7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2,3-dihydroisoindol-1-one (PubChem CID 11361222) 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-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2,3-dihydroisoindol-1-one
PubChem CID11361222
Molecular FormulaC15H10BrClF2N2O
Molecular Weight387.61 g/mol
Exact Mass385.96
IUPAC Name7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2,3-dihydroisoindol-1-one
SMILESCC1NC(=O)c2c1cc(F)c(F)c2Nc1ccc(Br)cc1Cl
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/h2-6,21H,1H3,(H,20,22)
InChIKeyLPNZFJBZXQVIKT-UHFFFAOYSA-N
XLogP4.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.61
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

methyl 4-(4-bromo-2-chloroanilino)-5-fluoro-6-oxo-1H-pyridazine-3-carboxylate
CID 69100438
(3R)-5-bromo-3-methyl-2,3-dihydroisoindol-1-one
CID 146160555
(4S)-4-(4-bromo-2-chlorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187996
N-[3-(4-bromo-2-chloroanilino)-2-fluoro-4-formylphenyl]-N'-methylmethanimidamide
CID 143014342
1-N-(4-bromo-2-chlorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589913
7-fluoro-3-methyl-2,3-dihydroisoindol-1-one
CID 84731555
1-N-(4-bromo-2,6-difluorophenyl)-2-chlorobenzene-1,4-diamine
CID 65468110
5,6-dichloro-3-methyl-2,3-dihydroisoindol-1-one
CID 130012400
N-(4-bromo-2-chlorophenyl)-3,3-dimethylpiperidin-4-amine
CID 114235355
2-N-(4-bromo-2-methylphenyl)-3,4-difluorobenzene-1,2-diamine
CID 62533328
6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazole-5-carbaldehyde
CID 21114207
2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid
CID 142266274

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2,3-dihydroisoindol-1-one (CID 11361222) is 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2,3-dihydroisoindol-1-one is CC1NC(=O)c2c1cc(F)c(F)c2Nc1ccc(Br)cc1Cl.
What is the InChIKey of 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2,3-dihydroisoindol-1-one?
The InChIKey is LPNZFJBZXQVIKT-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/h2-6,21H,1H3,(H,20,22).
What are the key properties of 7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2,3-dihydroisoindol-1-one?
7-(4-bromo-2-chloroanilino)-5,6-difluoro-3-methyl-2,3-dihydroisoindol-1-one has a molecular weight of 387.61 g/mol, XLogP of 4.93, 2 rotatable bonds, 2 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-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 11361222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).