(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide

C22H25FN2O3 — CID 95848920

IUPAC(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide
SMILESCC(C)C(=O)N1CCO[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1
InChIInChI=1S/C22H25FN2O3/c1-15(2)20(26)25-9-10-28-22(14-25,21(24)27)13-16-5-3-6-17(11-16)18-7-4-8-19(23)12-18/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H2,24,27)/t22-/m1/s1
InChIKeyWTNINDLJBJDDLJ-JOCHJYFZSA-N
MW384.45 g/mol
LogP2.77
Rot. Bonds5

About (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide

(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide (PubChem CID 95848920) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide
PubChem CID95848920
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide
SMILESCC(C)C(=O)N1CCO[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1
InChIInChI=1S/C22H25FN2O3/c1-15(2)20(26)25-9-10-28-22(14-25,21(24)27)13-16-5-3-6-17(11-16)18-7-4-8-19(23)12-18/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H2,24,27)/t22-/m1/s1
InChIKeyWTNINDLJBJDDLJ-JOCHJYFZSA-N
XLogP2.77
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide
CID 92553084
(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 92569626
4-(3-methylbutanoyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233107
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376
(2S)-4-(3-methylbutanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92578987
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92553097
(2R)-4-(2-methoxyacetyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610806
4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233047
4-butanoyl-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233206
(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574060
(2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92561025
(2S)-4-(3-phenylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574627

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide (CID 95848920) is (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide is CC(C)C(=O)N1CCO[C@@](Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1.
What is the InChIKey of (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide?
The InChIKey is WTNINDLJBJDDLJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-15(2)20(26)25-9-10-28-22(14-25,21(24)27)13-16-5-3-6-17(11-16)18-7-4-8-19(23)12-18/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H2,24,27)/t22-/m1/s1.
What are the key properties of (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide?
(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide is sourced from PubChem (CID 95848920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).