2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

C20H23ClN2O2 — CID 44579844

IUPAC2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)N(C[C@H]1CCCN1)c1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-15(25-19-12-6-5-11-18(19)21)20(24)23(14-16-8-7-13-22-16)17-9-3-2-4-10-17/h2-6,9-12,15-16,22H,7-8,13-14H2,1H3/t15?,16-/m1/s1
InChIKeyRRZBMLJADKLFNE-OEMAIJDKSA-N
MW358.87 g/mol
LogP3.89
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 44579844) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID44579844
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)N(C[C@H]1CCCN1)c1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-15(25-19-12-6-5-11-18(19)21)20(24)23(14-16-8-7-13-22-16)17-9-3-2-4-10-17/h2-6,9-12,15-16,22H,7-8,13-14H2,1H3/t15?,16-/m1/s1
InChIKeyRRZBMLJADKLFNE-OEMAIJDKSA-N
XLogP3.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (CID 44579844) is 2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is CC(Oc1ccccc1Cl)C(=O)N(C[C@H]1CCCN1)c1ccccc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is RRZBMLJADKLFNE-OEMAIJDKSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-15(25-19-12-6-5-11-18(19)21)20(24)23(14-16-8-7-13-22-16)17-9-3-2-4-10-17/h2-6,9-12,15-16,22H,7-8,13-14H2,1H3/t15?,16-/m1/s1.
What are the key properties of 2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 358.87 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 44579844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).