2-(2-chlorophenoxy)-N-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

C20H22Cl2N2O2 — CID 44579774

IUPAC2-(2-chlorophenoxy)-N-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)N(C[C@H]1CCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-14(26-19-7-3-2-6-18(19)22)20(25)24(13-16-5-4-12-23-16)17-10-8-15(21)9-11-17/h2-3,6-11,14,16,23H,4-5,12-13H2,1H3/t14?,16-/m1/s1
InChIKeyFWAXUBVNPCNDCQ-BZSJEYESSA-N
MW393.31 g/mol
LogP4.55
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

2-(2-chlorophenoxy)-N-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 44579774) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID44579774
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-(2-chlorophenoxy)-N-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)N(C[C@H]1CCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-14(26-19-7-3-2-6-18(19)22)20(25)24(13-16-5-4-12-23-16)17-10-8-15(21)9-11-17/h2-3,6-11,14,16,23H,4-5,12-13H2,1H3/t14?,16-/m1/s1
InChIKeyFWAXUBVNPCNDCQ-BZSJEYESSA-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-(2-chlorophenoxy)-N-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (CID 44579774) is 2-(2-chlorophenoxy)-N-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is CC(Oc1ccccc1Cl)C(=O)N(C[C@H]1CCCN1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is FWAXUBVNPCNDCQ-BZSJEYESSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-14(26-19-7-3-2-6-18(19)22)20(25)24(13-16-5-4-12-23-16)17-10-8-15(21)9-11-17/h2-3,6-11,14,16,23H,4-5,12-13H2,1H3/t14?,16-/m1/s1.
What are the key properties of 2-(2-chlorophenoxy)-N-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
2-(2-chlorophenoxy)-N-(4-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-(2-chlorophenoxy)-N-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 44579774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).