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

C21H14Cl2F2N2O — CID 155512750

IUPAC(3R)-6-chloro-3-[(3-chlorophenyl)methyl]-3-(2,6-difluoroanilino)-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2[C@@]1(Cc1cccc(Cl)c1)Nc1c(F)cccc1F
InChIInChI=1S/C21H14Cl2F2N2O/c22-13-4-1-3-12(9-13)11-21(27-19-16(24)5-2-6-17(19)25)15-8-7-14(23)10-18(15)26-20(21)28/h1-10,27H,11H2,(H,26,28)/t21-/m1/s1
InChIKeyFUFYOQRYQLCEGB-OAQYLSRUSA-N
MW419.26 g/mol
LogP5.77
Rot. Bonds4

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

(3R)-6-chloro-3-[(3-chlorophenyl)methyl]-3-(2,6-difluoroanilino)-1H-indol-2-one (PubChem CID 155512750) has the molecular formula C21H14Cl2F2N2O and a molecular weight of 419.26 g/mol. Its IUPAC name is (3R)-6-chloro-3-[(3-chlorophenyl)methyl]-3-(2,6-difluoroanilino)-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-6-chloro-3-[(3-chlorophenyl)methyl]-3-(2,6-difluoroanilino)-1H-indol-2-one
PubChem CID155512750
Molecular FormulaC21H14Cl2F2N2O
Molecular Weight419.26 g/mol
Exact Mass418.05
IUPAC Name(3R)-6-chloro-3-[(3-chlorophenyl)methyl]-3-(2,6-difluoroanilino)-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2[C@@]1(Cc1cccc(Cl)c1)Nc1c(F)cccc1F
InChIInChI=1S/C21H14Cl2F2N2O/c22-13-4-1-3-12(9-13)11-21(27-19-16(24)5-2-6-17(19)25)15-8-7-14(23)10-18(15)26-20(21)28/h1-10,27H,11H2,(H,26,28)/t21-/m1/s1
InChIKeyFUFYOQRYQLCEGB-OAQYLSRUSA-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 (3R)-6-chloro-3-[(3-chlorophenyl)methyl]-3-(2,6-difluoroanilino)-1H-indol-2-one?
The IUPAC name of (3R)-6-chloro-3-[(3-chlorophenyl)methyl]-3-(2,6-difluoroanilino)-1H-indol-2-one (CID 155512750) is (3R)-6-chloro-3-[(3-chlorophenyl)methyl]-3-(2,6-difluoroanilino)-1H-indol-2-one.
What is the SMILES notation for (3R)-6-chloro-3-[(3-chlorophenyl)methyl]-3-(2,6-difluoroanilino)-1H-indol-2-one?
The canonical SMILES for (3R)-6-chloro-3-[(3-chlorophenyl)methyl]-3-(2,6-difluoroanilino)-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2[C@@]1(Cc1cccc(Cl)c1)Nc1c(F)cccc1F.
What is the InChIKey of (3R)-6-chloro-3-[(3-chlorophenyl)methyl]-3-(2,6-difluoroanilino)-1H-indol-2-one?
The InChIKey is FUFYOQRYQLCEGB-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H14Cl2F2N2O/c22-13-4-1-3-12(9-13)11-21(27-19-16(24)5-2-6-17(19)25)15-8-7-14(23)10-18(15)26-20(21)28/h1-10,27H,11H2,(H,26,28)/t21-/m1/s1.
What are the key properties of (3R)-6-chloro-3-[(3-chlorophenyl)methyl]-3-(2,6-difluoroanilino)-1H-indol-2-one?
(3R)-6-chloro-3-[(3-chlorophenyl)methyl]-3-(2,6-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 (3R)-6-chloro-3-[(3-chlorophenyl)methyl]-3-(2,6-difluoroanilino)-1H-indol-2-one is sourced from PubChem (CID 155512750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).