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

C20H23ClN2O2 — CID 44579843

IUPACN-(3-chlorophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-15(25-19-10-3-2-4-11-19)20(24)23(14-17-8-6-12-22-17)18-9-5-7-16(21)13-18/h2-5,7,9-11,13,15,17,22H,6,8,12,14H2,1H3/t15?,17-/m1/s1
InChIKeyODUXBNOPUCKJQD-OMOCHNIRSA-N
MW358.87 g/mol
LogP3.89
Rot. Bonds6

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

N-(3-chlorophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 44579843) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID44579843
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-(3-chlorophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O2/c1-15(25-19-10-3-2-4-11-19)20(24)23(14-17-8-6-12-22-17)18-9-5-7-16(21)13-18/h2-5,7,9-11,13,15,17,22H,6,8,12,14H2,1H3/t15?,17-/m1/s1
InChIKeyODUXBNOPUCKJQD-OMOCHNIRSA-N
XLogP3.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (CID 44579843) is N-(3-chlorophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is CC(Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is ODUXBNOPUCKJQD-OMOCHNIRSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-15(25-19-10-3-2-4-11-19)20(24)23(14-17-8-6-12-22-17)18-9-5-7-16(21)13-18/h2-5,7,9-11,13,15,17,22H,6,8,12,14H2,1H3/t15?,17-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
N-(3-chlorophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 358.87 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 44579843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).