[1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone

C22H22Cl3NO2 — CID 121134567

IUPAC[1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
SMILESO=C(N1CCOC(c2cc(Cl)cc(Cl)c2)C1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H22Cl3NO2/c23-17-5-3-16(4-6-17)22(7-1-2-8-22)21(27)26-9-10-28-20(14-26)15-11-18(24)13-19(25)12-15/h3-6,11-13,20H,1-2,7-10,14H2
InChIKeyMJQJSBWKXFOHSB-UHFFFAOYSA-N
MW438.78 g/mol
LogP6.06
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone

[1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone (PubChem CID 121134567) has the molecular formula C22H22Cl3NO2 and a molecular weight of 438.78 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
PubChem CID121134567
Molecular FormulaC22H22Cl3NO2
Molecular Weight438.78 g/mol
Exact Mass437.07
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
SMILESO=C(N1CCOC(c2cc(Cl)cc(Cl)c2)C1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H22Cl3NO2/c23-17-5-3-16(4-6-17)22(7-1-2-8-22)21(27)26-9-10-28-20(14-26)15-11-18(24)13-19(25)12-15/h3-6,11-13,20H,1-2,7-10,14H2
InChIKeyMJQJSBWKXFOHSB-UHFFFAOYSA-N
XLogP6.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.78
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxamide
CID 60607124
4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid
CID 122135290
[1-(4-chlorophenyl)cyclobutyl]-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157015742
[2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110609508
(2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134531
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853
cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 71804695
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
[1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone
CID 126783216
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119355153
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxamide
CID 56813691
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111430703

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone (CID 121134567) is [1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone is O=C(N1CCOC(c2cc(Cl)cc(Cl)c2)C1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The InChIKey is MJQJSBWKXFOHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl3NO2/c23-17-5-3-16(4-6-17)22(7-1-2-8-22)21(27)26-9-10-28-20(14-26)15-11-18(24)13-19(25)12-15/h3-6,11-13,20H,1-2,7-10,14H2.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
[1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone has a molecular weight of 438.78 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 121134567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).