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

C22H16Cl2F2N2O2 — CID 24950438

IUPAC6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-(difluoromethoxy)anilino]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C22H16Cl2F2N2O2/c23-14-3-1-2-13(10-14)12-22(18-9-4-15(24)11-19(18)27-20(22)29)28-16-5-7-17(8-6-16)30-21(25)26/h1-11,21,28H,12H2,(H,27,29)
InChIKeyCSDSYCUOTXPZNZ-UHFFFAOYSA-N
MW449.28 g/mol
LogP6.10
Rot. Bonds6

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

6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-(difluoromethoxy)anilino]-1H-indol-2-one (PubChem CID 24950438) has the molecular formula C22H16Cl2F2N2O2 and a molecular weight of 449.28 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-(difluoromethoxy)anilino]-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-(difluoromethoxy)anilino]-1H-indol-2-one
PubChem CID24950438
Molecular FormulaC22H16Cl2F2N2O2
Molecular Weight449.28 g/mol
Exact Mass448.06
IUPAC Name6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-(difluoromethoxy)anilino]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C22H16Cl2F2N2O2/c23-14-3-1-2-13(10-14)12-22(18-9-4-15(24)11-19(18)27-20(22)29)28-16-5-7-17(8-6-16)30-21(25)26/h1-11,21,28H,12H2,(H,27,29)
InChIKeyCSDSYCUOTXPZNZ-UHFFFAOYSA-N
XLogP6.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.28
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-(difluoromethoxy)anilino]-1H-indol-2-one?
The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-(difluoromethoxy)anilino]-1H-indol-2-one (CID 24950438) is 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-(difluoromethoxy)anilino]-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-(difluoromethoxy)anilino]-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-(difluoromethoxy)anilino]-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2C1(Cc1cccc(Cl)c1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-(difluoromethoxy)anilino]-1H-indol-2-one?
The InChIKey is CSDSYCUOTXPZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2F2N2O2/c23-14-3-1-2-13(10-14)12-22(18-9-4-15(24)11-19(18)27-20(22)29)28-16-5-7-17(8-6-16)30-21(25)26/h1-11,21,28H,12H2,(H,27,29).
What are the key properties of 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-(difluoromethoxy)anilino]-1H-indol-2-one?
6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-(difluoromethoxy)anilino]-1H-indol-2-one has a molecular weight of 449.28 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-chlorophenyl)methyl]-3-[4-(difluoromethoxy)anilino]-1H-indol-2-one is sourced from PubChem (CID 24950438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).