N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

C19H19FN2O3 — CID 56730602

IUPACN-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)NCc2cccc(F)c2)C1c1ccccc1
InChIInChI=1S/C19H19FN2O3/c1-22-16(23)12-25-18(17(22)14-7-3-2-4-8-14)19(24)21-11-13-6-5-9-15(20)10-13/h2-10,17-18H,11-12H2,1H3,(H,21,24)
InChIKeyKJTFOLMXSWXDSF-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.04
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide

N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 56730602) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID56730602
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)NCc2cccc(F)c2)C1c1ccccc1
InChIInChI=1S/C19H19FN2O3/c1-22-16(23)12-25-18(17(22)14-7-3-2-4-8-14)19(24)21-11-13-6-5-9-15(20)10-13/h2-10,17-18H,11-12H2,1H3,(H,21,24)
InChIKeyKJTFOLMXSWXDSF-UHFFFAOYSA-N
XLogP2.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 97457503
(2S,3R)-3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739769
(2R,3S)-N-(3-fluorophenyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738065
4-methyl-5-oxo-3-phenyl-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 71687674
3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689506
(2S,3S)-3-(3-fluorophenyl)-N-(3-hydroxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739961
(2S,3R)-N-butyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739924
3-(3-fluorophenyl)-N-(3-methoxypropyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689508
(2S,3R)-N-[[3-(hydroxymethyl)phenyl]methyl]-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxamide
CID 134704176
(2S,3S)-N-(3-ethoxypropyl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739962
(2S,3S)-N-(cyclopentylmethyl)-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738039
(2S,3S)-4-methyl-3-(4-methylphenyl)-5-oxo-N-(2-phenylethyl)morpholine-2-carboxamide
CID 97457442

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide (CID 56730602) is N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is CN1C(=O)COC(C(=O)NCc2cccc(F)c2)C1c1ccccc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is KJTFOLMXSWXDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-22-16(23)12-25-18(17(22)14-7-3-2-4-8-14)19(24)21-11-13-6-5-9-15(20)10-13/h2-10,17-18H,11-12H2,1H3,(H,21,24).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide?
N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 56730602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).