6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one

C21H14Cl2F2N2O — CID 24950436

IUPAC6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H14Cl2F2N2O/c22-13-3-1-2-12(8-13)11-21(27-15-5-7-17(24)18(25)10-15)16-6-4-14(23)9-19(16)26-20(21)28/h1-10,27H,11H2,(H,26,28)
InChIKeyGSWJDZQDMPGKTH-UHFFFAOYSA-N
MW419.26 g/mol
LogP5.77
Rot. Bonds4

About 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one

6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one (PubChem CID 24950436) has the molecular formula C21H14Cl2F2N2O and a molecular weight of 419.26 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one
PubChem CID24950436
Molecular FormulaC21H14Cl2F2N2O
Molecular Weight419.26 g/mol
Exact Mass418.05
IUPAC Name6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H14Cl2F2N2O/c22-13-3-1-2-12(8-13)11-21(27-15-5-7-17(24)18(25)10-15)16-6-4-14(23)9-19(16)26-20(21)28/h1-10,27H,11H2,(H,26,28)
InChIKeyGSWJDZQDMPGKTH-UHFFFAOYSA-N
XLogP5.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.26
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one?
The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one (CID 24950436) is 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one?
The InChIKey is GSWJDZQDMPGKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2F2N2O/c22-13-3-1-2-12(8-13)11-21(27-15-5-7-17(24)18(25)10-15)16-6-4-14(23)9-19(16)26-20(21)28/h1-10,27H,11H2,(H,26,28).
What are the key properties of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one?
6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one has a molecular weight of 419.26 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one is sourced from PubChem (CID 24950436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).