N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

C19H25ClN2O2 — CID 2926616

IUPACN-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccc1Cl)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C19H25ClN2O2/c20-17-9-5-4-6-14(17)10-11-21-19(24)15-12-18(23)22(13-15)16-7-2-1-3-8-16/h4-6,9,15-16H,1-3,7-8,10-13H2,(H,21,24)
InChIKeyJQRXUSNUBPTWBA-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.18
Rot. Bonds5

About N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 2926616) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID2926616
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccccc1Cl)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C19H25ClN2O2/c20-17-9-5-4-6-14(17)10-11-21-19(24)15-12-18(23)22(13-15)16-7-2-1-3-8-16/h4-6,9,15-16H,1-3,7-8,10-13H2,(H,21,24)
InChIKeyJQRXUSNUBPTWBA-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 2926616) is N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1ccccc1Cl)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JQRXUSNUBPTWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-17-9-5-4-6-14(17)10-11-21-19(24)15-12-18(23)22(13-15)16-7-2-1-3-8-16/h4-6,9,15-16H,1-3,7-8,10-13H2,(H,21,24).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 348.87 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2926616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).