N-(3-chloro-4-morpholin-4-ylphenyl)cyclohexanecarboxamide

C17H23ClN2O2 — CID 738228

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C17H23ClN2O2/c18-15-12-14(19-17(21)13-4-2-1-3-5-13)6-7-16(15)20-8-10-22-11-9-20/h6-7,12-13H,1-5,8-11H2,(H,19,21)
InChIKeyXKIPMVXDDDLWCQ-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.70
Rot. Bonds3

About N-(3-chloro-4-morpholin-4-ylphenyl)cyclohexanecarboxamide

N-(3-chloro-4-morpholin-4-ylphenyl)cyclohexanecarboxamide (PubChem CID 738228) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)cyclohexanecarboxamide
PubChem CID738228
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C17H23ClN2O2/c18-15-12-14(19-17(21)13-4-2-1-3-5-13)6-7-16(15)20-8-10-22-11-9-20/h6-7,12-13H,1-5,8-11H2,(H,19,21)
InChIKeyXKIPMVXDDDLWCQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)cyclohexanecarboxamide (CID 738228) is N-(3-chloro-4-morpholin-4-ylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)cyclohexanecarboxamide is O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)C1CCCCC1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)cyclohexanecarboxamide?
The InChIKey is XKIPMVXDDDLWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-15-12-14(19-17(21)13-4-2-1-3-5-13)6-7-16(15)20-8-10-22-11-9-20/h6-7,12-13H,1-5,8-11H2,(H,19,21).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)cyclohexanecarboxamide?
N-(3-chloro-4-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-(3-chloro-4-morpholin-4-ylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 738228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).