[(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone

C16H14Cl2N2O2 — CID 95296582

IUPAC[(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone
SMILESO=C(c1cc(Cl)ccn1)N1CCO[C@@H](c2ccccc2Cl)C1
InChIInChI=1S/C16H14Cl2N2O2/c17-11-5-6-19-14(9-11)16(21)20-7-8-22-15(10-20)12-3-1-2-4-13(12)18/h1-6,9,15H,7-8,10H2/t15-/m1/s1
InChIKeyXZCFLAMXTSVVAM-OAHLLOKOSA-N
MW337.21 g/mol
LogP3.60
Rot. Bonds2

About [(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone

[(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone (PubChem CID 95296582) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is [(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone
PubChem CID95296582
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name[(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone
SMILESO=C(c1cc(Cl)ccn1)N1CCO[C@@H](c2ccccc2Cl)C1
InChIInChI=1S/C16H14Cl2N2O2/c17-11-5-6-19-14(9-11)16(21)20-7-8-22-15(10-20)12-3-1-2-4-13(12)18/h1-6,9,15H,7-8,10H2/t15-/m1/s1
InChIKeyXZCFLAMXTSVVAM-OAHLLOKOSA-N
XLogP3.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
2-(2-chlorophenyl)-N-(2-methylpropyl)morpholine-4-carboxamide
CID 110609422
[2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 110356617
(4-chloro-2-pyridinyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 118471320
[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 124700398
[2-(2-chlorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 155946085
1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823
(3R)-1-(4-chloropyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 81118172
(4-chloro-2-pyridinyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 61150659
(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide
CID 95303634
(4-chlorophenyl)-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110326668
3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride
CID 120500448

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone?
The IUPAC name of [(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone (CID 95296582) is [(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone.
What is the SMILES notation for [(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone?
The canonical SMILES for [(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone is O=C(c1cc(Cl)ccn1)N1CCO[C@@H](c2ccccc2Cl)C1.
What is the InChIKey of [(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone?
The InChIKey is XZCFLAMXTSVVAM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c17-11-5-6-19-14(9-11)16(21)20-7-8-22-15(10-20)12-3-1-2-4-13(12)18/h1-6,9,15H,7-8,10H2/t15-/m1/s1.
What are the key properties of [(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone?
[(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone has a molecular weight of 337.21 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone is sourced from PubChem (CID 95296582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).