6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione

C14H10ClFN2O2S — CID 80729513

IUPAC6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione
SMILESCN(Cc1ccc(Cl)s1)c1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C14H10ClFN2O2S/c1-18(6-7-2-3-12(15)21-7)11-5-10-8(4-9(11)16)13(19)14(20)17-10/h2-5H,6H2,1H3,(H,17,19,20)
InChIKeyJWMGWIYKULRZFL-UHFFFAOYSA-N
MW324.76 g/mol
LogP3.31
Rot. Bonds3

About 6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione

6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione (PubChem CID 80729513) has the molecular formula C14H10ClFN2O2S and a molecular weight of 324.76 g/mol. Its IUPAC name is 6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione
PubChem CID80729513
Molecular FormulaC14H10ClFN2O2S
Molecular Weight324.76 g/mol
Exact Mass324.01
IUPAC Name6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione
SMILESCN(Cc1ccc(Cl)s1)c1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C14H10ClFN2O2S/c1-18(6-7-2-3-12(15)21-7)11-5-10-8(4-9(11)16)13(19)14(20)17-10/h2-5H,6H2,1H3,(H,17,19,20)
InChIKeyJWMGWIYKULRZFL-UHFFFAOYSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione?
The IUPAC name of 6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione (CID 80729513) is 6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione.
What is the SMILES notation for 6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione?
The canonical SMILES for 6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione is CN(Cc1ccc(Cl)s1)c1cc2c(cc1F)C(=O)C(=O)N2.
What is the InChIKey of 6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione?
The InChIKey is JWMGWIYKULRZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2S/c1-18(6-7-2-3-12(15)21-7)11-5-10-8(4-9(11)16)13(19)14(20)17-10/h2-5H,6H2,1H3,(H,17,19,20).
What are the key properties of 6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione?
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione has a molecular weight of 324.76 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chlorothiophen-2-yl)methyl-methylamino]-5-fluoro-1H-indole-2,3-dione is sourced from PubChem (CID 80729513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).