6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione

C15H9ClFNO2 — CID 61356251

IUPAC6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(F)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H9ClFNO2/c16-10-3-6-12-13(7-10)18(15(20)14(12)19)8-9-1-4-11(17)5-2-9/h1-7H,8H2
InChIKeyRNXKFAXWBVEILG-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.21
Rot. Bonds2

About 6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione

6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione (PubChem CID 61356251) has the molecular formula C15H9ClFNO2 and a molecular weight of 289.69 g/mol. Its IUPAC name is 6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
PubChem CID61356251
Molecular FormulaC15H9ClFNO2
Molecular Weight289.69 g/mol
Exact Mass289.03
IUPAC Name6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(F)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C15H9ClFNO2/c16-10-3-6-12-13(7-10)18(15(20)14(12)19)8-9-1-4-11(17)5-2-9/h1-7H,8H2
InChIKeyRNXKFAXWBVEILG-UHFFFAOYSA-N
XLogP3.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione
CID 61356762
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione
CID 61355930
1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione
CID 61356419
5,7-difluoro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
CID 61356798
6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
CID 79173662
1-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 114850024
6-chloro-1-[(5-chloro-1-methylimidazol-2-yl)methyl]indole-2,3-dione
CID 61355262
1-but-2-enyl-6-chloroindole-2,3-dione
CID 61356254
1-[(6-chloro-3-pyridinyl)methyl]-5-fluoroindole-2,3-dione
CID 18071807
6-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 61355101
6-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole-2,3-dione
CID 64772916

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione?
The IUPAC name of 6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione (CID 61356251) is 6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccc(F)cc2)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione?
The InChIKey is RNXKFAXWBVEILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO2/c16-10-3-6-12-13(7-10)18(15(20)14(12)19)8-9-1-4-11(17)5-2-9/h1-7H,8H2.
What are the key properties of 6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione?
6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione has a molecular weight of 289.69 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 61356251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).