1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one

C15H10ClFINO — CID 114862460

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one
SMILESO=C1Cc2cc(I)ccc2N1Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H10ClFINO/c16-11-2-1-9(13(17)7-11)8-19-14-4-3-12(18)5-10(14)6-15(19)20/h1-5,7H,6,8H2
InChIKeyMMWMYAXCSDOMKY-UHFFFAOYSA-N
MW401.61 g/mol
LogP4.17
Rot. Bonds2

About 1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one

1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one (PubChem CID 114862460) has the molecular formula C15H10ClFINO and a molecular weight of 401.61 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one
PubChem CID114862460
Molecular FormulaC15H10ClFINO
Molecular Weight401.61 g/mol
Exact Mass400.95
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one
SMILESO=C1Cc2cc(I)ccc2N1Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H10ClFINO/c16-11-2-1-9(13(17)7-11)8-19-14-4-3-12(18)5-10(14)6-15(19)20/h1-5,7H,6,8H2
InChIKeyMMWMYAXCSDOMKY-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.61
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one (CID 114862460) is 1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one is O=C1Cc2cc(I)ccc2N1Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one?
The InChIKey is MMWMYAXCSDOMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFINO/c16-11-2-1-9(13(17)7-11)8-19-14-4-3-12(18)5-10(14)6-15(19)20/h1-5,7H,6,8H2.
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one?
1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one has a molecular weight of 401.61 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-3H-indol-2-one is sourced from PubChem (CID 114862460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).