5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one

C15H11ClFNO2 — CID 107991147

IUPAC5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3ccc(Cl)c(F)c3)ccc2N1
InChIInChI=1S/C15H11ClFNO2/c16-11-3-1-9(6-12(11)17)15(20)8-2-4-13-10(5-8)7-14(19)18-13/h1-6,15,20H,7H2,(H,18,19)
InChIKeyWUIVKTONTGRZHT-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.06
Rot. Bonds2

About 5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one

5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one (PubChem CID 107991147) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is 5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
PubChem CID107991147
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3ccc(Cl)c(F)c3)ccc2N1
InChIInChI=1S/C15H11ClFNO2/c16-11-3-1-9(6-12(11)17)15(20)8-2-4-13-10(5-8)7-14(19)18-13/h1-6,15,20H,7H2,(H,18,19)
InChIKeyWUIVKTONTGRZHT-UHFFFAOYSA-N
XLogP3.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61087016
5-[(3-fluoro-4-methoxyphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 62920423
5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61088889
5-[(2,6-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61086834
5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 79755388
5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61087937
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484803
5-[(5-bromo-2-fluorophenyl)-chloromethyl]-1,3-dihydroindol-2-one
CID 61084977
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one (CID 107991147) is 5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)c3ccc(Cl)c(F)c3)ccc2N1.
What is the InChIKey of 5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The InChIKey is WUIVKTONTGRZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c16-11-3-1-9(6-12(11)17)15(20)8-2-4-13-10(5-8)7-14(19)18-13/h1-6,15,20H,7H2,(H,18,19).
What are the key properties of 5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one has a molecular weight of 291.71 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 107991147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).