[5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone

C20H13ClFNO3 — CID 100817349

IUPAC[5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)c(Cl)c2)o1)n1cc(CO)c2ccccc21
InChIInChI=1S/C20H13ClFNO3/c21-15-9-12(5-6-16(15)22)18-7-8-19(26-18)20(25)23-10-13(11-24)14-3-1-2-4-17(14)23/h1-10,24H,11H2
InChIKeyFRLQCCONNAOZIY-UHFFFAOYSA-N
MW369.78 g/mol
LogP4.87
Rot. Bonds3

About [5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone

[5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone (PubChem CID 100817349) has the molecular formula C20H13ClFNO3 and a molecular weight of 369.78 g/mol. Its IUPAC name is [5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone
PubChem CID100817349
Molecular FormulaC20H13ClFNO3
Molecular Weight369.78 g/mol
Exact Mass369.06
IUPAC Name[5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)c(Cl)c2)o1)n1cc(CO)c2ccccc21
InChIInChI=1S/C20H13ClFNO3/c21-15-9-12(5-6-16(15)22)18-7-8-19(26-18)20(25)23-10-13(11-24)14-3-1-2-4-17(14)23/h1-10,24H,11H2
InChIKeyFRLQCCONNAOZIY-UHFFFAOYSA-N
XLogP4.87
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.78
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone?
The IUPAC name of [5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone (CID 100817349) is [5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone.
What is the SMILES notation for [5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone?
The canonical SMILES for [5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone is O=C(c1ccc(-c2ccc(F)c(Cl)c2)o1)n1cc(CO)c2ccccc21.
What is the InChIKey of [5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone?
The InChIKey is FRLQCCONNAOZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFNO3/c21-15-9-12(5-6-16(15)22)18-7-8-19(26-18)20(25)23-10-13(11-24)14-3-1-2-4-17(14)23/h1-10,24H,11H2.
What are the key properties of [5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone?
[5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone has a molecular weight of 369.78 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-fluorophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone is sourced from PubChem (CID 100817349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).