(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one

C22H17ClFNO2 — CID 139255432

IUPAC(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one
SMILESCc1ccc([C@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C22H17ClFNO2/c1-14-2-6-16(7-3-14)22(27)19-12-17(23)8-11-20(19)25(21(22)26)13-15-4-9-18(24)10-5-15/h2-12,27H,13H2,1H3/t22-/m1/s1
InChIKeyMIHXBTWTHIBNGA-JOCHJYFZSA-N
MW381.83 g/mol
LogP4.57
Rot. Bonds3

About (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one

(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one (PubChem CID 139255432) has the molecular formula C22H17ClFNO2 and a molecular weight of 381.83 g/mol. Its IUPAC name is (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one.

Molecular Properties

Compound Name(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one
PubChem CID139255432
Molecular FormulaC22H17ClFNO2
Molecular Weight381.83 g/mol
Exact Mass381.09
IUPAC Name(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one
SMILESCc1ccc([C@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C22H17ClFNO2/c1-14-2-6-16(7-3-14)22(27)19-12-17(23)8-11-20(19)25(21(22)26)13-15-4-9-18(24)10-5-15/h2-12,27H,13H2,1H3/t22-/m1/s1
InChIKeyMIHXBTWTHIBNGA-JOCHJYFZSA-N
XLogP4.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one?
The IUPAC name of (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one (CID 139255432) is (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one.
What is the SMILES notation for (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one?
The canonical SMILES for (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one is Cc1ccc([C@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccc(Cl)cc32)cc1.
What is the InChIKey of (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one?
The InChIKey is MIHXBTWTHIBNGA-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H17ClFNO2/c1-14-2-6-16(7-3-14)22(27)19-12-17(23)8-11-20(19)25(21(22)26)13-15-4-9-18(24)10-5-15/h2-12,27H,13H2,1H3/t22-/m1/s1.
What are the key properties of (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one?
(3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one has a molecular weight of 381.83 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(4-methylphenyl)indol-2-one is sourced from PubChem (CID 139255432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).