[2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone

C17H17ClN2O2 — CID 102604264

IUPAC[2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCOC(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H17ClN2O2/c18-14-5-3-4-13(10-14)11-15-12-20(8-9-22-15)17(21)16-6-1-2-7-19-16/h1-7,10,15H,8-9,11-12H2
InChIKeyNRXYMSKHDOINPZ-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.82
Rot. Bonds3

About [2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone

[2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone (PubChem CID 102604264) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone
PubChem CID102604264
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name[2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCOC(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C17H17ClN2O2/c18-14-5-3-4-13(10-14)11-15-12-20(8-9-22-15)17(21)16-6-1-2-7-19-16/h1-7,10,15H,8-9,11-12H2
InChIKeyNRXYMSKHDOINPZ-UHFFFAOYSA-N
XLogP2.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124993426
[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone
CID 124961439
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 110113908
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
[(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 42392462
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
(2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 45217332
(2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone
CID 71801610
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95969181
(3-chlorothiophen-2-yl)-[(2S)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 26322636
[2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
CID 102604353
(1,5-dimethylpyrazol-3-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358801

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone?
The IUPAC name of [2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone (CID 102604264) is [2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCOC(Cc2cccc(Cl)c2)C1.
What is the InChIKey of [2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone?
The InChIKey is NRXYMSKHDOINPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-14-5-3-4-13(10-14)11-15-12-20(8-9-22-15)17(21)16-6-1-2-7-19-16/h1-7,10,15H,8-9,11-12H2.
What are the key properties of [2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone?
[2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone has a molecular weight of 316.79 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 102604264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).