N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

C22H26ClN3O3 — CID 44579880

IUPACN-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H26ClN3O3/c1-15(29-21-7-3-5-17(23)13-21)22(28)26(14-19-6-4-12-24-19)20-10-8-18(9-11-20)25-16(2)27/h3,5,7-11,13,15,19,24H,4,6,12,14H2,1-2H3,(H,25,27)/t15?,19-/m1/s1
InChIKeyQRXMVMCRSAGBBI-XCWJXAQQSA-N
MW415.92 g/mol
LogP3.85
Rot. Bonds7

About N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 44579880) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID44579880
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC NameN-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H26ClN3O3/c1-15(29-21-7-3-5-17(23)13-21)22(28)26(14-19-6-4-12-24-19)20-10-8-18(9-11-20)25-16(2)27/h3,5,7-11,13,15,19,24H,4,6,12,14H2,1-2H3,(H,25,27)/t15?,19-/m1/s1
InChIKeyQRXMVMCRSAGBBI-XCWJXAQQSA-N
XLogP3.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (CID 44579880) is N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is CC(=O)Nc1ccc(N(C[C@H]2CCCN2)C(=O)C(C)Oc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is QRXMVMCRSAGBBI-XCWJXAQQSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-15(29-21-7-3-5-17(23)13-21)22(28)26(14-19-6-4-12-24-19)20-10-8-18(9-11-20)25-16(2)27/h3,5,7-11,13,15,19,24H,4,6,12,14H2,1-2H3,(H,25,27)/t15?,19-/m1/s1.
What are the key properties of N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 415.92 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3-chlorophenoxy)-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 44579880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).