1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one

C23H20FNO2 — CID 139259312

IUPAC1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1cccc(CC2C(=O)N(Cc3ccccc3)c3c(F)cccc32)c1
InChIInChI=1S/C23H20FNO2/c1-27-18-10-5-9-17(13-18)14-20-19-11-6-12-21(24)22(19)25(23(20)26)15-16-7-3-2-4-8-16/h2-13,20H,14-15H2,1H3
InChIKeyGYXZOPVCNLVHFH-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.71
Rot. Bonds5

About 1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one

1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one (PubChem CID 139259312) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one
PubChem CID139259312
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one
SMILESCOc1cccc(CC2C(=O)N(Cc3ccccc3)c3c(F)cccc32)c1
InChIInChI=1S/C23H20FNO2/c1-27-18-10-5-9-17(13-18)14-20-19-11-6-12-21(24)22(19)25(23(20)26)15-16-7-3-2-4-8-16/h2-13,20H,14-15H2,1H3
InChIKeyGYXZOPVCNLVHFH-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one (CID 139259312) is 1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one is COc1cccc(CC2C(=O)N(Cc3ccccc3)c3c(F)cccc32)c1.
What is the InChIKey of 1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one?
The InChIKey is GYXZOPVCNLVHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO2/c1-27-18-10-5-9-17(13-18)14-20-19-11-6-12-21(24)22(19)25(23(20)26)15-16-7-3-2-4-8-16/h2-13,20H,14-15H2,1H3.
What are the key properties of 1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one?
1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one has a molecular weight of 361.42 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-fluoro-3-[(3-methoxyphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 139259312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).