N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide

C17H23ClN2O2 — CID 4884539

IUPACN-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)CNC(=O)C1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c1-12(14-8-5-9-15(18)10-14)20-16(21)11-19-17(22)13-6-3-2-4-7-13/h5,8-10,12-13H,2-4,6-7,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyJUWPKUWSTIZPHD-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.21
Rot. Bonds5

About N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 4884539) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID4884539
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)CNC(=O)C1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c1-12(14-8-5-9-15(18)10-14)20-16(21)11-19-17(22)13-6-3-2-4-7-13/h5,8-10,12-13H,2-4,6-7,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyJUWPKUWSTIZPHD-UHFFFAOYSA-N
XLogP3.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide (CID 4884539) is N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide is CC(NC(=O)CNC(=O)C1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is JUWPKUWSTIZPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12(14-8-5-9-15(18)10-14)20-16(21)11-19-17(22)13-6-3-2-4-7-13/h5,8-10,12-13H,2-4,6-7,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4884539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).