(5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone

C18H13FN2O2 — CID 11702271

IUPAC(5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3cc4cc(F)ccc4[nH]3)cc2c1
InChIInChI=1S/C18H13FN2O2/c1-23-13-3-5-15-11(7-13)9-17(21-15)18(22)16-8-10-6-12(19)2-4-14(10)20-16/h2-9,20-21H,1H3
InChIKeyLUNUZJNEQKNMPG-UHFFFAOYSA-N
MW308.31 g/mol
LogP4.03
Rot. Bonds3

About (5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone

(5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 11702271) has the molecular formula C18H13FN2O2 and a molecular weight of 308.31 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID11702271
Molecular FormulaC18H13FN2O2
Molecular Weight308.31 g/mol
Exact Mass308.10
IUPAC Name(5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3cc4cc(F)ccc4[nH]3)cc2c1
InChIInChI=1S/C18H13FN2O2/c1-23-13-3-5-15-11(7-13)9-17(21-15)18(22)16-8-10-6-12(19)2-4-14(10)20-16/h2-9,20-21H,1H3
InChIKeyLUNUZJNEQKNMPG-UHFFFAOYSA-N
XLogP4.03
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of (5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone (CID 11702271) is (5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone is COc1ccc2[nH]c(C(=O)c3cc4cc(F)ccc4[nH]3)cc2c1.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is LUNUZJNEQKNMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2/c1-23-13-3-5-15-11(7-13)9-17(21-15)18(22)16-8-10-6-12(19)2-4-14(10)20-16/h2-9,20-21H,1H3.
What are the key properties of (5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone?
(5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 308.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 11702271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).