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

C21H24Cl2N2O2 — CID 44579840

IUPAC2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1
InChIInChI=1S/C21H24Cl2N2O2/c1-15(27-20-9-3-7-18(23)12-20)21(26)25(14-19-8-4-10-24-19)13-16-5-2-6-17(22)11-16/h2-3,5-7,9,11-12,15,19,24H,4,8,10,13-14H2,1H3/t15?,19-/m1/s1
InChIKeyGEWFNPFCLSCLBQ-XCWJXAQQSA-N
MW407.34 g/mol
LogP4.54
Rot. Bonds7

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

2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 44579840) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID44579840
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1
InChIInChI=1S/C21H24Cl2N2O2/c1-15(27-20-9-3-7-18(23)12-20)21(26)25(14-19-8-4-10-24-19)13-16-5-2-6-17(22)11-16/h2-3,5-7,9,11-12,15,19,24H,4,8,10,13-14H2,1H3/t15?,19-/m1/s1
InChIKeyGEWFNPFCLSCLBQ-XCWJXAQQSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.54
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)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (CID 44579840) is 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)N(Cc1cccc(Cl)c1)C[C@H]1CCCN1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is GEWFNPFCLSCLBQ-XCWJXAQQSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-15(27-20-9-3-7-18(23)12-20)21(26)25(14-19-8-4-10-24-19)13-16-5-2-6-17(22)11-16/h2-3,5-7,9,11-12,15,19,24H,4,8,10,13-14H2,1H3/t15?,19-/m1/s1.
What are the key properties of 2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 407.34 g/mol, XLogP of 4.54, 7 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)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 44579840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).