[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone

C23H21ClN2O2 — CID 124976913

IUPAC[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1
InChIInChI=1S/C23H21ClN2O2/c24-19-9-4-6-17(14-19)15-20-10-5-11-21(25-20)22-16-26(12-13-28-22)23(27)18-7-2-1-3-8-18/h1-11,14,22H,12-13,15-16H2/t22-/m1/s1
InChIKeyLITYUMMLCFKLHJ-JOCHJYFZSA-N
MW392.89 g/mol
LogP4.54
Rot. Bonds4

About [(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone

[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone (PubChem CID 124976913) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is [(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
PubChem CID124976913
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1
InChIInChI=1S/C23H21ClN2O2/c24-19-9-4-6-17(14-19)15-20-10-5-11-21(25-20)22-16-26(12-13-28-22)23(27)18-7-2-1-3-8-18/h1-11,14,22H,12-13,15-16H2/t22-/m1/s1
InChIKeyLITYUMMLCFKLHJ-JOCHJYFZSA-N
XLogP4.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124990500
[(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 124967747
[2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone
CID 132779340
5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one
CID 127250237
[(2R)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124949019
[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(2-methyl-1,3-benzothiazol-6-yl)methanone
CID 124970106
phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
CID 124940424
[(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 125020350
3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 132772804
(2S)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]-4-[(1-ethylpyrazol-4-yl)methyl]morpholine
CID 125020601
[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 124700398
[2-(3-chlorophenyl)morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 122138903

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone?
The IUPAC name of [(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone (CID 124976913) is [(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone?
The canonical SMILES for [(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone is O=C(c1ccccc1)N1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1.
What is the InChIKey of [(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone?
The InChIKey is LITYUMMLCFKLHJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c24-19-9-4-6-17(14-19)15-20-10-5-11-21(25-20)22-16-26(12-13-28-22)23(27)18-7-2-1-3-8-18/h1-11,14,22H,12-13,15-16H2/t22-/m1/s1.
What are the key properties of [(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone?
[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone has a molecular weight of 392.89 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 124976913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).