1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione

C16H11ClFNO2 — CID 61356665

IUPAC1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2Cc1cccc(Cl)c1
InChIInChI=1S/C16H11ClFNO2/c1-9-5-12-14(13(18)6-9)19(16(21)15(12)20)8-10-3-2-4-11(17)7-10/h2-7H,8H2,1H3
InChIKeyNNCDFDYDPCGGKP-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.52
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione

1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione (PubChem CID 61356665) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione
PubChem CID61356665
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2Cc1cccc(Cl)c1
InChIInChI=1S/C16H11ClFNO2/c1-9-5-12-14(13(18)6-9)19(16(21)15(12)20)8-10-3-2-4-11(17)7-10/h2-7H,8H2,1H3
InChIKeyNNCDFDYDPCGGKP-UHFFFAOYSA-N
XLogP3.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione (CID 61356665) is 1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione is Cc1cc(F)c2c(c1)C(=O)C(=O)N2Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione?
The InChIKey is NNCDFDYDPCGGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c1-9-5-12-14(13(18)6-9)19(16(21)15(12)20)8-10-3-2-4-11(17)7-10/h2-7H,8H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione?
1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione has a molecular weight of 303.72 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-7-fluoro-5-methylindole-2,3-dione is sourced from PubChem (CID 61356665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).