4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one

C26H24FN3O2 — CID 162395975

IUPAC4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(NCc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H24FN3O2/c27-21-7-5-19(6-8-21)16-29-17-20(24-3-1-2-4-25(24)29)15-28-22-9-11-23(12-10-22)30-13-14-32-18-26(30)31/h1-12,17,28H,13-16,18H2
InChIKeyRYWYWGKRLPZZET-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.80
Rot. Bonds6

About 4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one

4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one (PubChem CID 162395975) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one
PubChem CID162395975
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(NCc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H24FN3O2/c27-21-7-5-19(6-8-21)16-29-17-20(24-3-1-2-4-25(24)29)15-28-22-9-11-23(12-10-22)30-13-14-32-18-26(30)31/h1-12,17,28H,13-16,18H2
InChIKeyRYWYWGKRLPZZET-UHFFFAOYSA-N
XLogP4.80
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one (CID 162395975) is 4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one is O=C1COCCN1c1ccc(NCc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one?
The InChIKey is RYWYWGKRLPZZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c27-21-7-5-19(6-8-21)16-29-17-20(24-3-1-2-4-25(24)29)15-28-22-9-11-23(12-10-22)30-13-14-32-18-26(30)31/h1-12,17,28H,13-16,18H2.
What are the key properties of 4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one?
4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one has a molecular weight of 429.50 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylamino]phenyl]morpholin-3-one is sourced from PubChem (CID 162395975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).