7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one

C16H14FNO2 — CID 82172440

IUPAC7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1cc2c(c(C(O)c3ccc(F)cc3)c1)NC(=O)C2
InChIInChI=1S/C16H14FNO2/c1-9-6-11-8-14(19)18-15(11)13(7-9)16(20)10-2-4-12(17)5-3-10/h2-7,16,20H,8H2,1H3,(H,18,19)
InChIKeyHBBCPVDNPFXTST-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.71
Rot. Bonds2

About 7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one

7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one (PubChem CID 82172440) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one
PubChem CID82172440
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1cc2c(c(C(O)c3ccc(F)cc3)c1)NC(=O)C2
InChIInChI=1S/C16H14FNO2/c1-9-6-11-8-14(19)18-15(11)13(7-9)16(20)10-2-4-12(17)5-3-10/h2-7,16,20H,8H2,1H3,(H,18,19)
InChIKeyHBBCPVDNPFXTST-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one (CID 82172440) is 7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one is Cc1cc2c(c(C(O)c3ccc(F)cc3)c1)NC(=O)C2.
What is the InChIKey of 7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is HBBCPVDNPFXTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-9-6-11-8-14(19)18-15(11)13(7-9)16(20)10-2-4-12(17)5-3-10/h2-7,16,20H,8H2,1H3,(H,18,19).
What are the key properties of 7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one?
7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 271.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).