3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one

C19H25Cl2NO2 — CID 121134464

IUPAC3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C19H25Cl2NO2/c20-16-10-15(11-17(21)12-16)18-13-22(8-9-24-18)19(23)7-6-14-4-2-1-3-5-14/h10-12,14,18H,1-9,13H2
InChIKeyUDJRELPHXGALJO-UHFFFAOYSA-N
MW370.32 g/mol
LogP5.25
Rot. Bonds4

About 3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one

3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one (PubChem CID 121134464) has the molecular formula C19H25Cl2NO2 and a molecular weight of 370.32 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one
PubChem CID121134464
Molecular FormulaC19H25Cl2NO2
Molecular Weight370.32 g/mol
Exact Mass369.13
IUPAC Name3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCC1CCCCC1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C19H25Cl2NO2/c20-16-10-15(11-17(21)12-16)18-13-22(8-9-24-18)19(23)7-6-14-4-2-1-3-5-14/h10-12,14,18H,1-9,13H2
InChIKeyUDJRELPHXGALJO-UHFFFAOYSA-N
XLogP5.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.32
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one (CID 121134464) is 3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one is O=C(CCC1CCCCC1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one?
The InChIKey is UDJRELPHXGALJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2NO2/c20-16-10-15(11-17(21)12-16)18-13-22(8-9-24-18)19(23)7-6-14-4-2-1-3-5-14/h10-12,14,18H,1-9,13H2.
What are the key properties of 3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one?
3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one has a molecular weight of 370.32 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(3,5-dichlorophenyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 121134464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).