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

C21H25ClN2O2 — CID 44579777

IUPACN-[(2-chlorophenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1
InChIInChI=1S/C21H25ClN2O2/c1-16(26-19-10-3-2-4-11-19)21(25)24(15-18-9-7-13-23-18)14-17-8-5-6-12-20(17)22/h2-6,8,10-12,16,18,23H,7,9,13-15H2,1H3/t16?,18-/m1/s1
InChIKeyHXLRPJHMHZZHBD-UHUGOGIASA-N
MW372.90 g/mol
LogP3.89
Rot. Bonds7

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

N-[(2-chlorophenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 44579777) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID44579777
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[(2-chlorophenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1
InChIInChI=1S/C21H25ClN2O2/c1-16(26-19-10-3-2-4-11-19)21(25)24(15-18-9-7-13-23-18)14-17-8-5-6-12-20(17)22/h2-6,8,10-12,16,18,23H,7,9,13-15H2,1H3/t16?,18-/m1/s1
InChIKeyHXLRPJHMHZZHBD-UHUGOGIASA-N
XLogP3.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-2-phenoxy-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 N-[(2-chlorophenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (CID 44579777) is N-[(2-chlorophenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is CC(Oc1ccccc1)C(=O)N(Cc1ccccc1Cl)C[C@H]1CCCN1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is HXLRPJHMHZZHBD-UHUGOGIASA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-16(26-19-10-3-2-4-11-19)21(25)24(15-18-9-7-13-23-18)14-17-8-5-6-12-20(17)22/h2-6,8,10-12,16,18,23H,7,9,13-15H2,1H3/t16?,18-/m1/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
N-[(2-chlorophenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 372.90 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 44579777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).