3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one

C16H14Cl2N2O3 — CID 95554145

IUPAC3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H14Cl2N2O3/c17-12-3-1-10(2-4-12)14-9-20(5-6-23-14)16(22)11-7-13(18)15(21)19-8-11/h1-4,7-8,14H,5-6,9H2,(H,19,21)/t14-/m1/s1
InChIKeyUSMZAUXAQOJZKA-CQSZACIVSA-N
MW353.21 g/mol
LogP2.90
Rot. Bonds2

About 3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one

3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 95554145) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID95554145
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H14Cl2N2O3/c17-12-3-1-10(2-4-12)14-9-20(5-6-23-14)16(22)11-7-13(18)15(21)19-8-11/h1-4,7-8,14H,5-6,9H2,(H,19,21)/t14-/m1/s1
InChIKeyUSMZAUXAQOJZKA-CQSZACIVSA-N
XLogP2.90
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[(2S)-2-pyridin-4-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 124953854
3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 124992992
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657
[2-(4-chlorophenyl)morpholin-4-yl]-(4-chloro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 55947377
[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-6-propan-2-yloxy-3-pyridinyl)methanone
CID 55947772
3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56866305
(3-amino-1H-pyrazol-5-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 56877212
(3-amino-1H-pyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95556703
(1-tert-butylpyrrol-3-yl)-[2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 56751067
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 95197408
[2-(4-chlorophenyl)morpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56758835
1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione
CID 110356660

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one (CID 95554145) is 3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one is O=C(c1c[nH]c(=O)c(Cl)c1)N1CCO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is USMZAUXAQOJZKA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-12-3-1-10(2-4-12)14-9-20(5-6-23-14)16(22)11-7-13(18)15(21)19-8-11/h1-4,7-8,14H,5-6,9H2,(H,19,21)/t14-/m1/s1.
What are the key properties of 3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 353.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 95554145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).