[3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone

C20H22ClNO3 — CID 43889704

IUPAC[3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone
SMILESCC1COCC(C)N1C(=O)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C20H22ClNO3/c1-14-11-24-12-15(2)22(14)20(23)16-7-5-8-18(10-16)25-13-17-6-3-4-9-19(17)21/h3-10,14-15H,11-13H2,1-2H3
InChIKeyFCCUEEWNNQMJLN-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.17
Rot. Bonds4

About [3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone

[3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone (PubChem CID 43889704) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is [3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone
PubChem CID43889704
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Name[3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone
SMILESCC1COCC(C)N1C(=O)c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C20H22ClNO3/c1-14-11-24-12-15(2)22(14)20(23)16-7-5-8-18(10-16)25-13-17-6-3-4-9-19(17)21/h3-10,14-15H,11-13H2,1-2H3
InChIKeyFCCUEEWNNQMJLN-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

azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 100749219
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
(3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone
CID 110292311
1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952238
[(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 178076386
[4-[(2-chlorophenyl)methoxy]phenyl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 8814188
3-[(2-chlorophenyl)methoxy]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
CID 133250733
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 100750028
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 95319434
3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
CID 30155712
N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
CID 100750102

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone (CID 43889704) is [3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone is CC1COCC(C)N1C(=O)c1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of [3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is FCCUEEWNNQMJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-14-11-24-12-15(2)22(14)20(23)16-7-5-8-18(10-16)25-13-17-6-3-4-9-19(17)21/h3-10,14-15H,11-13H2,1-2H3.
What are the key properties of [3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone?
[3-[(2-chlorophenyl)methoxy]phenyl]-(3,5-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-chlorophenyl)methoxy]phenyl]-(3,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43889704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).