[3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone

C21H22F2N2O3 — CID 91919054

IUPAC[3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(OC2CN(Cc3cccc(F)c3F)C2)c1)N1CCOCC1
InChIInChI=1S/C21H22F2N2O3/c22-19-6-2-4-16(20(19)23)12-24-13-18(14-24)28-17-5-1-3-15(11-17)21(26)25-7-9-27-10-8-25/h1-6,11,18H,7-10,12-14H2
InChIKeyQMHOWLQVPNOGHM-UHFFFAOYSA-N
MW388.41 g/mol
LogP2.70
Rot. Bonds5

About [3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone

[3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone (PubChem CID 91919054) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is [3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone
PubChem CID91919054
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name[3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(OC2CN(Cc3cccc(F)c3F)C2)c1)N1CCOCC1
InChIInChI=1S/C21H22F2N2O3/c22-19-6-2-4-16(20(19)23)12-24-13-18(14-24)28-17-5-1-3-15(11-17)21(26)25-7-9-27-10-8-25/h1-6,11,18H,7-10,12-14H2
InChIKeyQMHOWLQVPNOGHM-UHFFFAOYSA-N
XLogP2.70
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone (CID 91919054) is [3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone is O=C(c1cccc(OC2CN(Cc3cccc(F)c3F)C2)c1)N1CCOCC1.
What is the InChIKey of [3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone?
The InChIKey is QMHOWLQVPNOGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c22-19-6-2-4-16(20(19)23)12-24-13-18(14-24)28-17-5-1-3-15(11-17)21(26)25-7-9-27-10-8-25/h1-6,11,18H,7-10,12-14H2.
What are the key properties of [3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone?
[3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone has a molecular weight of 388.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[(2,3-difluorophenyl)methyl]azetidin-3-yl]oxyphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 91919054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).