5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one

C23H15Cl2F4NO — CID 46948345

IUPAC5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one
SMILESCC1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C23H15Cl2F4NO/c1-22(11-14-8-15(24)4-5-16(14)23(27,28)29)17-9-12(3-7-20(17)30-21(22)31)13-2-6-19(26)18(25)10-13/h2-10H,11H2,1H3,(H,30,31)
InChIKeyUGMDTUHAQYMHGD-UHFFFAOYSA-N
MW468.28 g/mol
LogP7.27
Rot. Bonds3

About 5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one

5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one (PubChem CID 46948345) has the molecular formula C23H15Cl2F4NO and a molecular weight of 468.28 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one
PubChem CID46948345
Molecular FormulaC23H15Cl2F4NO
Molecular Weight468.28 g/mol
Exact Mass467.05
IUPAC Name5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one
SMILESCC1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C23H15Cl2F4NO/c1-22(11-14-8-15(24)4-5-16(14)23(27,28)29)17-9-12(3-7-20(17)30-21(22)31)13-2-6-19(26)18(25)10-13/h2-10H,11H2,1H3,(H,30,31)
InChIKeyUGMDTUHAQYMHGD-UHFFFAOYSA-N
XLogP7.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.28
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one (CID 46948345) is 5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one is CC1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one?
The InChIKey is UGMDTUHAQYMHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2F4NO/c1-22(11-14-8-15(24)4-5-16(14)23(27,28)29)17-9-12(3-7-20(17)30-21(22)31)13-2-6-19(26)18(25)10-13/h2-10H,11H2,1H3,(H,30,31).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one?
5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one has a molecular weight of 468.28 g/mol, XLogP of 7.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methyl-1H-indol-2-one is sourced from PubChem (CID 46948345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).