[3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone

C25H25FN2O2 — CID 170503162

IUPAC[3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCN(C)c1ccccc1-c1cccc(C(=O)N2CCOC(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C25H25FN2O2/c1-27(2)23-9-4-3-8-22(23)19-6-5-7-20(16-19)25(29)28-14-15-30-24(17-28)18-10-12-21(26)13-11-18/h3-13,16,24H,14-15,17H2,1-2H3
InChIKeyMGNTXXMDKZZRSF-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.77
Rot. Bonds4

About [3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone

[3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 170503162) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is [3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID170503162
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name[3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCN(C)c1ccccc1-c1cccc(C(=O)N2CCOC(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C25H25FN2O2/c1-27(2)23-9-4-3-8-22(23)19-6-5-7-20(16-19)25(29)28-14-15-30-24(17-28)18-10-12-21(26)13-11-18/h3-13,16,24H,14-15,17H2,1-2H3
InChIKeyMGNTXXMDKZZRSF-UHFFFAOYSA-N
XLogP4.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanesulfonamide
CID 134044195
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 47517184
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354508
[2-(4-fluorophenyl)morpholin-4-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70743890
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 38374133
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 38374136
[2-(4-fluorophenyl)morpholin-4-yl]-(5-iodothiophen-3-yl)methanone
CID 78950100
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
CID 46420143
1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
CID 46570389

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of [3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 170503162) is [3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for [3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone is CN(C)c1ccccc1-c1cccc(C(=O)N2CCOC(c3ccc(F)cc3)C2)c1.
What is the InChIKey of [3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is MGNTXXMDKZZRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c1-27(2)23-9-4-3-8-22(23)19-6-5-7-20(16-19)25(29)28-14-15-30-24(17-28)18-10-12-21(26)13-11-18/h3-13,16,24H,14-15,17H2,1-2H3.
What are the key properties of [3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
[3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 404.49 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)phenyl]phenyl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 170503162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).