(2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide

C19H18FN3O2 — CID 95183668

IUPAC(2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)N1CCO[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C19H18FN3O2/c1-13-5-6-14(11-21)9-17(13)22-19(24)23-7-8-25-18(12-23)15-3-2-4-16(20)10-15/h2-6,9-10,18H,7-8,12H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyUDIVHXDXYLOHHM-SFHVURJKSA-N
MW339.37 g/mol
LogP3.61
Rot. Bonds2

About (2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide

(2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide (PubChem CID 95183668) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is (2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide
PubChem CID95183668
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name(2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)N1CCO[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C19H18FN3O2/c1-13-5-6-14(11-21)9-17(13)22-19(24)23-7-8-25-18(12-23)15-3-2-4-16(20)10-15/h2-6,9-10,18H,7-8,12H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyUDIVHXDXYLOHHM-SFHVURJKSA-N
XLogP3.61
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide (CID 95183668) is (2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide is Cc1ccc(C#N)cc1NC(=O)N1CCO[C@H](c2cccc(F)c2)C1.
What is the InChIKey of (2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide?
The InChIKey is UDIVHXDXYLOHHM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-5-6-14(11-21)9-17(13)22-19(24)23-7-8-25-18(12-23)15-3-2-4-16(20)10-15/h2-6,9-10,18H,7-8,12H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of (2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide?
(2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-cyano-2-methylphenyl)-2-(3-fluorophenyl)morpholine-4-carboxamide is sourced from PubChem (CID 95183668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).