(2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide

C19H18F2N2O3 — CID 95739766

IUPAC(2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NCc2ccccc2F)[C@@H]1c1ccccc1F
InChIInChI=1S/C19H18F2N2O3/c1-23-16(24)11-26-18(17(23)13-7-3-5-9-15(13)21)19(25)22-10-12-6-2-4-8-14(12)20/h2-9,17-18H,10-11H2,1H3,(H,22,25)/t17-,18-/m0/s1
InChIKeySPTSVDGJFKVJMX-ROUUACIJSA-N
MW360.36 g/mol
LogP2.18
Rot. Bonds4

About (2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide

(2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide (PubChem CID 95739766) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is (2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
PubChem CID95739766
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC Name(2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
SMILESCN1C(=O)CO[C@H](C(=O)NCc2ccccc2F)[C@@H]1c1ccccc1F
InChIInChI=1S/C19H18F2N2O3/c1-23-16(24)11-26-18(17(23)13-7-3-5-9-15(13)21)19(25)22-10-12-6-2-4-8-14(12)20/h2-9,17-18H,10-11H2,1H3,(H,22,25)/t17-,18-/m0/s1
InChIKeySPTSVDGJFKVJMX-ROUUACIJSA-N
XLogP2.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739769
(2S,3S)-3-(2-fluorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739787
(2S,3S)-3-(2-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-5-oxomorpholine-2-carboxamide
CID 95739849
3-(2-fluorophenyl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-methyl-5-oxomorpholine-2-carboxamide
CID 91954385
(2R,3R)-N-cyclohexyl-3-(2-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739795
N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147665
(2R,3S)-3-(2-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739760
(2S,3R)-N-(1H-indol-4-ylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 134701120
(2S,3R)-4-methyl-3-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]-5-oxomorpholine-2-carboxamide
CID 134701148
(2S,3R)-N-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 138031496
N-[(3-fluorophenyl)methyl]-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 56730602
(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
CID 137281032

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide (CID 95739766) is (2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide is CN1C(=O)CO[C@H](C(=O)NCc2ccccc2F)[C@@H]1c1ccccc1F.
What is the InChIKey of (2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide?
The InChIKey is SPTSVDGJFKVJMX-ROUUACIJSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c1-23-16(24)11-26-18(17(23)13-7-3-5-9-15(13)21)19(25)22-10-12-6-2-4-8-14(12)20/h2-9,17-18H,10-11H2,1H3,(H,22,25)/t17-,18-/m0/s1.
What are the key properties of (2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide?
(2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 95739766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).