(5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone

C20H20ClFN2O2 — CID 86285844

IUPAC(5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(C1Cc2cc(Cl)ccc2N1)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C20H20ClFN2O2/c21-14-5-6-17-13(11-14)12-18(23-17)20(25)24-9-7-15(8-10-24)26-19-4-2-1-3-16(19)22/h1-6,11,15,18,23H,7-10,12H2
InChIKeyHVMTYHGQYNQBCZ-UHFFFAOYSA-N
MW374.84 g/mol
LogP3.89
Rot. Bonds3

About (5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone

(5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone (PubChem CID 86285844) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is (5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
PubChem CID86285844
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name(5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
SMILESO=C(C1Cc2cc(Cl)ccc2N1)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C20H20ClFN2O2/c21-14-5-6-17-13(11-14)12-18(23-17)20(25)24-9-7-15(8-10-24)26-19-4-2-1-3-16(19)22/h1-6,11,15,18,23H,7-10,12H2
InChIKeyHVMTYHGQYNQBCZ-UHFFFAOYSA-N
XLogP3.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone (CID 86285844) is (5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone is O=C(C1Cc2cc(Cl)ccc2N1)N1CCC(Oc2ccccc2F)CC1.
What is the InChIKey of (5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is HVMTYHGQYNQBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c21-14-5-6-17-13(11-14)12-18(23-17)20(25)24-9-7-15(8-10-24)26-19-4-2-1-3-16(19)22/h1-6,11,15,18,23H,7-10,12H2.
What are the key properties of (5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
(5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 374.84 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydro-1H-indol-2-yl)-[4-(2-fluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 86285844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).