(2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone

C30H24ClFN2O — CID 11605446

IUPAC(2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCC(c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1
InChIInChI=1S/C30H24ClFN2O/c31-26-9-5-10-27(32)29(26)30(35)33-15-14-23(18-33)25-19-34(28-11-4-3-8-24(25)28)17-20-12-13-21-6-1-2-7-22(21)16-20/h1-13,16,19,23H,14-15,17-18H2
InChIKeyFDFIBDBMGWIEEJ-UHFFFAOYSA-N
MW482.99 g/mol
LogP7.26
Rot. Bonds4

About (2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 11605446) has the molecular formula C30H24ClFN2O and a molecular weight of 482.99 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone
PubChem CID11605446
Molecular FormulaC30H24ClFN2O
Molecular Weight482.99 g/mol
Exact Mass482.16
IUPAC Name(2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCC(c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1
InChIInChI=1S/C30H24ClFN2O/c31-26-9-5-10-27(32)29(26)30(35)33-15-14-23(18-33)25-19-34(28-11-4-3-8-24(25)28)17-20-12-13-21-6-1-2-7-22(21)16-20/h1-13,16,19,23H,14-15,17-18H2
InChIKeyFDFIBDBMGWIEEJ-UHFFFAOYSA-N
XLogP7.26
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.99
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone (CID 11605446) is (2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone is O=C(c1c(F)cccc1Cl)N1CCC(c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is FDFIBDBMGWIEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClFN2O/c31-26-9-5-10-27(32)29(26)30(35)33-15-14-23(18-33)25-19-34(28-11-4-3-8-24(25)28)17-20-12-13-21-6-1-2-7-22(21)16-20/h1-13,16,19,23H,14-15,17-18H2.
What are the key properties of (2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 482.99 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 11605446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).