5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one

C19H12Cl2FNO2 — CID 172635626

IUPAC5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one
SMILESC=C1N(C(=O)CCl)c2ccc(Cl)cc2C12Cc1cc(F)ccc1C2=O
InChIInChI=1S/C19H12Cl2FNO2/c1-10-19(8-11-6-13(22)3-4-14(11)18(19)25)15-7-12(21)2-5-16(15)23(10)17(24)9-20/h2-7H,1,8-9H2
InChIKeyXOCCUUGQYINUIQ-UHFFFAOYSA-N
MW376.21 g/mol
LogP4.26
Rot. Bonds1

About 5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one

5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one (PubChem CID 172635626) has the molecular formula C19H12Cl2FNO2 and a molecular weight of 376.21 g/mol. Its IUPAC name is 5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one.

Molecular Properties

Compound Name5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one
PubChem CID172635626
Molecular FormulaC19H12Cl2FNO2
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC Name5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one
SMILESC=C1N(C(=O)CCl)c2ccc(Cl)cc2C12Cc1cc(F)ccc1C2=O
InChIInChI=1S/C19H12Cl2FNO2/c1-10-19(8-11-6-13(22)3-4-14(11)18(19)25)15-7-12(21)2-5-16(15)23(10)17(24)9-20/h2-7H,1,8-9H2
InChIKeyXOCCUUGQYINUIQ-UHFFFAOYSA-N
XLogP4.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one?
The IUPAC name of 5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one (CID 172635626) is 5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one.
What is the SMILES notation for 5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one?
The canonical SMILES for 5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one is C=C1N(C(=O)CCl)c2ccc(Cl)cc2C12Cc1cc(F)ccc1C2=O.
What is the InChIKey of 5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one?
The InChIKey is XOCCUUGQYINUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FNO2/c1-10-19(8-11-6-13(22)3-4-14(11)18(19)25)15-7-12(21)2-5-16(15)23(10)17(24)9-20/h2-7H,1,8-9H2.
What are the key properties of 5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one?
5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one has a molecular weight of 376.21 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-chloro-1'-(2-chloroacetyl)-5-fluoro-2'-methylidenespiro[3H-indene-2,3'-indole]-1-one is sourced from PubChem (CID 172635626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).