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

C21H24ClNO4 — CID 110358386

IUPAC[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CC(c3cccc(Cl)c3)OCC2(C)C)c1
InChIInChI=1S/C21H24ClNO4/c1-21(2)13-27-19(14-6-5-7-16(22)8-14)12-23(21)20(24)15-9-17(25-3)11-18(10-15)26-4/h5-11,19H,12-13H2,1-4H3
InChIKeySEDJOEUBELPICJ-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.35
Rot. Bonds4

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

[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone (PubChem CID 110358386) has the molecular formula C21H24ClNO4 and a molecular weight of 389.88 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone
PubChem CID110358386
Molecular FormulaC21H24ClNO4
Molecular Weight389.88 g/mol
Exact Mass389.14
IUPAC Name[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CC(c3cccc(Cl)c3)OCC2(C)C)c1
InChIInChI=1S/C21H24ClNO4/c1-21(2)13-27-19(14-6-5-7-16(22)8-14)12-23(21)20(24)15-9-17(25-3)11-18(10-15)26-4/h5-11,19H,12-13H2,1-4H3
InChIKeySEDJOEUBELPICJ-UHFFFAOYSA-N
XLogP4.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110358398
[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone
CID 110358376
6-[2-(3-chlorophenyl)-5,5-dimethylmorpholine-4-carbonyl]-5-methoxy-1H-pyrimidine-2,4-dione
CID 154789318
2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide
CID 110356676
(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327516
(3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 112507350
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110327358
3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one
CID 110656807
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
(3,5-dimethoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369324
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
[2-(3-chlorophenyl)morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 122138903

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone (CID 110358386) is [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)N2CC(c3cccc(Cl)c3)OCC2(C)C)c1.
What is the InChIKey of [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone?
The InChIKey is SEDJOEUBELPICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO4/c1-21(2)13-27-19(14-6-5-7-16(22)8-14)12-23(21)20(24)15-9-17(25-3)11-18(10-15)26-4/h5-11,19H,12-13H2,1-4H3.
What are the key properties of [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone?
[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone has a molecular weight of 389.88 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 110358386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).