tert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate

C23H26FNO5 — CID 122534917

IUPACtert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate
SMILESCC(C)(C)OC(=O)C(O)c1cccc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C23H26FNO5/c1-23(2,3)30-22(28)20(26)17-6-4-5-15(13-17)16-7-8-19(24)18(14-16)21(27)25-9-11-29-12-10-25/h4-8,13-14,20,26H,9-12H2,1-3H3
InChIKeyULIUOHSIVCYPPZ-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.34
Rot. Bonds4

About tert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate

tert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate (PubChem CID 122534917) has the molecular formula C23H26FNO5 and a molecular weight of 415.46 g/mol. Its IUPAC name is tert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nametert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate
PubChem CID122534917
Molecular FormulaC23H26FNO5
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Nametert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate
SMILESCC(C)(C)OC(=O)C(O)c1cccc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C23H26FNO5/c1-23(2,3)30-22(28)20(26)17-6-4-5-15(13-17)16-7-8-19(24)18(14-16)21(27)25-9-11-29-12-10-25/h4-8,13-14,20,26H,9-12H2,1-3H3
InChIKeyULIUOHSIVCYPPZ-UHFFFAOYSA-N
XLogP3.34
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-1,2-benzoxazol-6-yl)-2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetamide
CID 71229782
2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 136632544
[1-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-oxo-2-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)anilino]ethyl] acetate
CID 136629988
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
tert-butyl N-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]carbamate
CID 55973425
2-fluoro-5-[3-[(1S)-1-methoxyethyl]phenyl]benzamide
CID 126447046
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
CID 164512719
tert-butyl 4-[2-fluoro-5-[(E)-prop-1-enyl]benzoyl]piperazine-1-carboxylate
CID 89169377
benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
CID 160782561
tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate
CID 58290529
tert-butyl 2-[4-[4-fluoro-3-(oxan-4-yloxy)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 76743059

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate?
The IUPAC name of tert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate (CID 122534917) is tert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate.
What is the SMILES notation for tert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate?
The canonical SMILES for tert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate is CC(C)(C)OC(=O)C(O)c1cccc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)c1.
What is the InChIKey of tert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate?
The InChIKey is ULIUOHSIVCYPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO5/c1-23(2,3)30-22(28)20(26)17-6-4-5-15(13-17)16-7-8-19(24)18(14-16)21(27)25-9-11-29-12-10-25/h4-8,13-14,20,26H,9-12H2,1-3H3.
What are the key properties of tert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate?
tert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate has a molecular weight of 415.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]phenyl]-2-hydroxyacetate is sourced from PubChem (CID 122534917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).