2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

C20H22Cl2N2O2 — CID 44579882

IUPAC2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1cccc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O2/c1-14(26-19-9-3-6-16(22)12-19)20(25)24(13-17-7-4-10-23-17)18-8-2-5-15(21)11-18/h2-3,5-6,8-9,11-12,14,17,23H,4,7,10,13H2,1H3/t14?,17-/m1/s1
InChIKeyPWNHDVZZHWUYBN-FBMWCMRBSA-N
MW393.31 g/mol
LogP4.55
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 44579882) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID44579882
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1cccc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O2/c1-14(26-19-9-3-6-16(22)12-19)20(25)24(13-17-7-4-10-23-17)18-8-2-5-15(21)11-18/h2-3,5-6,8-9,11-12,14,17,23H,4,7,10,13H2,1H3/t14?,17-/m1/s1
InChIKeyPWNHDVZZHWUYBN-FBMWCMRBSA-N
XLogP4.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (CID 44579882) is 2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)N(C[C@H]1CCCN1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is PWNHDVZZHWUYBN-FBMWCMRBSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-14(26-19-9-3-6-16(22)12-19)20(25)24(13-17-7-4-10-23-17)18-8-2-5-15(21)11-18/h2-3,5-6,8-9,11-12,14,17,23H,4,7,10,13H2,1H3/t14?,17-/m1/s1.
What are the key properties of 2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 393.31 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 44579882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).