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

C22H27ClN2O2 — CID 44579824

IUPAC2-(3-chlorophenoxy)-N-[(3-methylphenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCc1cccc(CN(C[C@H]2CCCN2)C(=O)C(C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C22H27ClN2O2/c1-16-6-3-7-18(12-16)14-25(15-20-9-5-11-24-20)22(26)17(2)27-21-10-4-8-19(23)13-21/h3-4,6-8,10,12-13,17,20,24H,5,9,11,14-15H2,1-2H3/t17?,20-/m1/s1
InChIKeyHQHRJJYHKDTGSZ-UUSAFJCLSA-N
MW386.92 g/mol
LogP4.20
Rot. Bonds7

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

2-(3-chlorophenoxy)-N-[(3-methylphenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 44579824) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(3-methylphenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(3-methylphenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID44579824
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-(3-chlorophenoxy)-N-[(3-methylphenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCc1cccc(CN(C[C@H]2CCCN2)C(=O)C(C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C22H27ClN2O2/c1-16-6-3-7-18(12-16)14-25(15-20-9-5-11-24-20)22(26)17(2)27-21-10-4-8-19(23)13-21/h3-4,6-8,10,12-13,17,20,24H,5,9,11,14-15H2,1-2H3/t17?,20-/m1/s1
InChIKeyHQHRJJYHKDTGSZ-UUSAFJCLSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenoxy)-N-[(3-methylphenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(3-methylphenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(3-methylphenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (CID 44579824) is 2-(3-chlorophenoxy)-N-[(3-methylphenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(3-methylphenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(3-methylphenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is Cc1cccc(CN(C[C@H]2CCCN2)C(=O)C(C)Oc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(3-methylphenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is HQHRJJYHKDTGSZ-UUSAFJCLSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-16-6-3-7-18(12-16)14-25(15-20-9-5-11-24-20)22(26)17(2)27-21-10-4-8-19(23)13-21/h3-4,6-8,10,12-13,17,20,24H,5,9,11,14-15H2,1-2H3/t17?,20-/m1/s1.
What are the key properties of 2-(3-chlorophenoxy)-N-[(3-methylphenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
2-(3-chlorophenoxy)-N-[(3-methylphenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 386.92 g/mol, XLogP of 4.20, 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-methylphenyl)methyl]-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 44579824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).