1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one

C15H10F2INO — CID 79787371

IUPAC1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one
SMILESO=C1Cc2cc(I)ccc2N1Cc1cc(F)ccc1F
InChIInChI=1S/C15H10F2INO/c16-11-1-3-13(17)10(5-11)8-19-14-4-2-12(18)6-9(14)7-15(19)20/h1-6H,7-8H2
InChIKeyJMGABIMDFRHIFL-UHFFFAOYSA-N
MW385.15 g/mol
LogP3.66
Rot. Bonds2

About 1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one

1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one (PubChem CID 79787371) has the molecular formula C15H10F2INO and a molecular weight of 385.15 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one
PubChem CID79787371
Molecular FormulaC15H10F2INO
Molecular Weight385.15 g/mol
Exact Mass384.98
IUPAC Name1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one
SMILESO=C1Cc2cc(I)ccc2N1Cc1cc(F)ccc1F
InChIInChI=1S/C15H10F2INO/c16-11-1-3-13(17)10(5-11)8-19-14-4-2-12(18)6-9(14)7-15(19)20/h1-6H,7-8H2
InChIKeyJMGABIMDFRHIFL-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.15
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one
CID 114862460
1-[(3,5-dimethylphenyl)methyl]-5-iodo-3H-indol-2-one
CID 79787632
1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79785399
1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 114935100
2-[(2,5-difluorophenyl)methyl]-7-iodo-3,4-dihydroisoquinolin-1-one
CID 79781440
1-[(3-bromo-4-methoxyphenyl)methyl]-5-iodo-3H-indol-2-one
CID 79783159
1-(2,2-difluoro-2-phenylethyl)-5-iodo-3H-indol-2-one
CID 116790904
1-[(2,5-difluorophenyl)methyl]-5-iodopyridin-2-one
CID 79785122
1-[(4-chlorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79784832
5-iodo-1-nonyl-3H-indol-2-one
CID 79784933
1-[(1,3-diethylpyrazol-5-yl)methyl]-5-iodo-3H-indol-2-one
CID 79783329
1-[(2-aminocyclopropyl)methyl]-5-fluoro-3H-indol-2-one
CID 76853933

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one (CID 79787371) is 1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one is O=C1Cc2cc(I)ccc2N1Cc1cc(F)ccc1F.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one?
The InChIKey is JMGABIMDFRHIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2INO/c16-11-1-3-13(17)10(5-11)8-19-14-4-2-12(18)6-9(14)7-15(19)20/h1-6H,7-8H2.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one?
1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one has a molecular weight of 385.15 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-5-iodo-3H-indol-2-one is sourced from PubChem (CID 79787371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).