N-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide

C19H27ClN2O2 — CID 8934496

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C19H27ClN2O2/c20-16-7-8-18(22-10-12-24-13-11-22)17(14-16)21-19(23)9-6-15-4-2-1-3-5-15/h7-8,14-15H,1-6,9-13H2,(H,21,23)
InChIKeyJPDWXKLHOJTOGC-UHFFFAOYSA-N
MW350.89 g/mol
LogP4.48
Rot. Bonds5

About N-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide

N-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide (PubChem CID 8934496) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide
PubChem CID8934496
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C19H27ClN2O2/c20-16-7-8-18(22-10-12-24-13-11-22)17(14-16)21-19(23)9-6-15-4-2-1-3-5-15/h7-8,14-15H,1-6,9-13H2,(H,21,23)
InChIKeyJPDWXKLHOJTOGC-UHFFFAOYSA-N
XLogP4.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide (CID 8934496) is N-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide?
The InChIKey is JPDWXKLHOJTOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c20-16-7-8-18(22-10-12-24-13-11-22)17(14-16)21-19(23)9-6-15-4-2-1-3-5-15/h7-8,14-15H,1-6,9-13H2,(H,21,23).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide has a molecular weight of 350.89 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide is sourced from PubChem (CID 8934496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).