cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone

C15H17Cl2NO2 — CID 71804695

IUPACcyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
SMILESO=C(C1CCC1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H17Cl2NO2/c16-12-6-11(7-13(17)8-12)14-9-18(4-5-20-14)15(19)10-2-1-3-10/h6-8,10,14H,1-5,9H2
InChIKeyFYWCVVQGFGMKLW-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.69
Rot. Bonds2

About cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone

cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone (PubChem CID 71804695) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
PubChem CID71804695
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Namecyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
SMILESO=C(C1CCC1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C15H17Cl2NO2/c16-12-6-11(7-13(17)8-12)14-9-18(4-5-20-14)15(19)10-2-1-3-10/h6-8,10,14H,1-5,9H2
InChIKeyFYWCVVQGFGMKLW-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one
CID 121134464
(2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134531
[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
CID 63005450
(3-aminocyclohexyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119769890
[2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 119315643
[1-(4-chlorophenyl)cyclopentyl]-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134567
(2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134492
(9-amino-3-bicyclo[3.3.1]nonanyl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 120988782
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-(2-hydroxycyclopentyl)methanone
CID 110015623
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone
CID 121134485

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The IUPAC name of cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone (CID 71804695) is cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone is O=C(C1CCC1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The InChIKey is FYWCVVQGFGMKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c16-12-6-11(7-13(17)8-12)14-9-18(4-5-20-14)15(19)10-2-1-3-10/h6-8,10,14H,1-5,9H2.
What are the key properties of cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone has a molecular weight of 314.21 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 71804695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).