[3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone

C20H22ClNO3 — CID 2941437

IUPAC[3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(COc3ccccc3Cl)c2)CC(C)O1
InChIInChI=1S/C20H22ClNO3/c1-14-11-22(12-15(2)25-14)20(23)17-7-5-6-16(10-17)13-24-19-9-4-3-8-18(19)21/h3-10,14-15H,11-13H2,1-2H3
InChIKeyPNPVKLYBTXEAOU-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.17
Rot. Bonds4

About [3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone

[3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 2941437) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is [3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID2941437
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name[3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(COc3ccccc3Cl)c2)CC(C)O1
InChIInChI=1S/C20H22ClNO3/c1-14-11-22(12-15(2)25-14)20(23)17-7-5-6-16(10-17)13-24-19-9-4-3-8-18(19)21/h3-10,14-15H,11-13H2,1-2H3
InChIKeyPNPVKLYBTXEAOU-UHFFFAOYSA-N
XLogP4.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Chloro-4-fluorophenyl)-[4-[[2-(2-chlorophenoxy)ethylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 132256811
3-chloro-4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 25279797
N-[2-(2-chlorophenoxy)ethyl]-2-methylbenzamide
CID 2195027
(4-Chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 2747480
Cyto2G5
CID 2802385
(2,6-Dimethylmorpholin-4-yl)-(4-phenoxyphenyl)methanone
CID 4883241
4-[(2-chlorophenoxy)methyl]-N,N-diethylbenzamide
CID 892992
N-benzyl-3-[(2,5-dichlorophenoxy)methyl]benzamide
CID 994926
N-benzyl-3-[(2-chlorophenoxy)methyl]benzamide
CID 1004812
N-benzyl-3-[(4-chlorophenoxy)methyl]benzamide
CID 1004926
4-tert-butyl-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 1824799
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-chlorophenoxy)propan-1-one
CID 45485380

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 2941437) is [3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cccc(COc3ccccc3Cl)c2)CC(C)O1.
What is the InChIKey of [3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is PNPVKLYBTXEAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-14-11-22(12-15(2)25-14)20(23)17-7-5-6-16(10-17)13-24-19-9-4-3-8-18(19)21/h3-10,14-15H,11-13H2,1-2H3.
What are the key properties of [3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
[3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 359.85 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorophenoxy)methyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 2941437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).