3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one

C15H11BrFNO — CID 71619697

IUPAC3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(F)Cc1ccc(Br)cc1
InChIInChI=1S/C15H11BrFNO/c16-11-7-5-10(6-8-11)9-15(17)12-3-1-2-4-13(12)18-14(15)19/h1-8H,9H2,(H,18,19)
InChIKeyFCBSSDDWUFFNTJ-UHFFFAOYSA-N
MW320.16 g/mol
LogP3.81
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one

3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one (PubChem CID 71619697) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one
PubChem CID71619697
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC Name3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(F)Cc1ccc(Br)cc1
InChIInChI=1S/C15H11BrFNO/c16-11-7-5-10(6-8-11)9-15(17)12-3-1-2-4-13(12)18-14(15)19/h1-8H,9H2,(H,18,19)
InChIKeyFCBSSDDWUFFNTJ-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one?
The IUPAC name of 3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one (CID 71619697) is 3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one is O=C1Nc2ccccc2C1(F)Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one?
The InChIKey is FCBSSDDWUFFNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO/c16-11-7-5-10(6-8-11)9-15(17)12-3-1-2-4-13(12)18-14(15)19/h1-8H,9H2,(H,18,19).
What are the key properties of 3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one?
3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one has a molecular weight of 320.16 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-3-fluoro-1H-indol-2-one is sourced from PubChem (CID 71619697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).