(2R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide

C18H16ClFN2O3 — CID 163337222

IUPAC(2R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESO=C1CO[C@@H](C(=O)NCc2ccc(F)cc2Cl)[C@H](c2ccccc2)N1
InChIInChI=1S/C18H16ClFN2O3/c19-14-8-13(20)7-6-12(14)9-21-18(24)17-16(22-15(23)10-25-17)11-4-2-1-3-5-11/h1-8,16-17H,9-10H2,(H,21,24)(H,22,23)/t16-,17+/m0/s1
InChIKeyLXFHMVDJGRDHJV-DLBZAZTESA-N
MW362.79 g/mol
LogP2.35
Rot. Bonds4

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

(2R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 163337222) has the molecular formula C18H16ClFN2O3 and a molecular weight of 362.79 g/mol. Its IUPAC name is (2R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID163337222
Molecular FormulaC18H16ClFN2O3
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC Name(2R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESO=C1CO[C@@H](C(=O)NCc2ccc(F)cc2Cl)[C@H](c2ccccc2)N1
InChIInChI=1S/C18H16ClFN2O3/c19-14-8-13(20)7-6-12(14)9-21-18(24)17-16(22-15(23)10-25-17)11-4-2-1-3-5-11/h1-8,16-17H,9-10H2,(H,21,24)(H,22,23)/t16-,17+/m0/s1
InChIKeyLXFHMVDJGRDHJV-DLBZAZTESA-N
XLogP2.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide (CID 163337222) is (2R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide is O=C1CO[C@@H](C(=O)NCc2ccc(F)cc2Cl)[C@H](c2ccccc2)N1.
What is the InChIKey of (2R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is LXFHMVDJGRDHJV-DLBZAZTESA-N. The full InChI is InChI=1S/C18H16ClFN2O3/c19-14-8-13(20)7-6-12(14)9-21-18(24)17-16(22-15(23)10-25-17)11-4-2-1-3-5-11/h1-8,16-17H,9-10H2,(H,21,24)(H,22,23)/t16-,17+/m0/s1.
What are the key properties of (2R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide?
(2R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 362.79 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 163337222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).