N-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide

C17H23ClN2O2 — CID 2985603

IUPACN-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(Cl)cc1N1CCOCC1)C1CCCCC1
InChIInChI=1S/C17H23ClN2O2/c18-14-6-7-15(16(12-14)20-8-10-22-11-9-20)19-17(21)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,19,21)
InChIKeyMYUQNASXBBODRG-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.70
Rot. Bonds3

About N-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide

N-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide (PubChem CID 2985603) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide
PubChem CID2985603
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(Cl)cc1N1CCOCC1)C1CCCCC1
InChIInChI=1S/C17H23ClN2O2/c18-14-6-7-15(16(12-14)20-8-10-22-11-9-20)19-17(21)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,19,21)
InChIKeyMYUQNASXBBODRG-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide 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 N-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide (CID 2985603) is N-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide is O=C(Nc1ccc(Cl)cc1N1CCOCC1)C1CCCCC1.
What is the InChIKey of N-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide?
The InChIKey is MYUQNASXBBODRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-14-6-7-15(16(12-14)20-8-10-22-11-9-20)19-17(21)13-4-2-1-3-5-13/h6-7,12-13H,1-5,8-11H2,(H,19,21).
What are the key properties of N-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide?
N-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-morpholin-4-ylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 2985603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).