2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone

C22H24FNO2 — CID 159303940

IUPAC2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone
SMILESO=C(Cc1ccc(F)cc1)c1cccc(C2CC2NC2CCOCC2)c1
InChIInChI=1S/C22H24FNO2/c23-18-6-4-15(5-7-18)12-22(25)17-3-1-2-16(13-17)20-14-21(20)24-19-8-10-26-11-9-19/h1-7,13,19-21,24H,8-12,14H2
InChIKeyLBRGUQVWMQNBPM-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.88
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone

2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone (PubChem CID 159303940) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone
PubChem CID159303940
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC Name2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone
SMILESO=C(Cc1ccc(F)cc1)c1cccc(C2CC2NC2CCOCC2)c1
InChIInChI=1S/C22H24FNO2/c23-18-6-4-15(5-7-18)12-22(25)17-3-1-2-16(13-17)20-14-21(20)24-19-8-10-26-11-9-19/h1-7,13,19-21,24H,8-12,14H2
InChIKeyLBRGUQVWMQNBPM-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone (CID 159303940) is 2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone is O=C(Cc1ccc(F)cc1)c1cccc(C2CC2NC2CCOCC2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone?
The InChIKey is LBRGUQVWMQNBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO2/c23-18-6-4-15(5-7-18)12-22(25)17-3-1-2-16(13-17)20-14-21(20)24-19-8-10-26-11-9-19/h1-7,13,19-21,24H,8-12,14H2.
What are the key properties of 2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone?
2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone has a molecular weight of 353.44 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-[2-(oxan-4-ylamino)cyclopropyl]phenyl]ethanone is sourced from PubChem (CID 159303940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).