N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide

C21H24ClFN2O2 — CID 55674436

IUPACN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccc(F)cc1)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C21H24ClFN2O2/c22-17-5-3-4-16(14-17)20(25-11-1-2-12-25)15-24-21(26)10-13-27-19-8-6-18(23)7-9-19/h3-9,14,20H,1-2,10-13,15H2,(H,24,26)
InChIKeyUQVGUNGGRZXPNZ-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.20
Rot. Bonds8

About N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide (PubChem CID 55674436) has the molecular formula C21H24ClFN2O2 and a molecular weight of 390.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide
PubChem CID55674436
Molecular FormulaC21H24ClFN2O2
Molecular Weight390.89 g/mol
Exact Mass390.15
IUPAC NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccc(F)cc1)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C21H24ClFN2O2/c22-17-5-3-4-16(14-17)20(25-11-1-2-12-25)15-24-21(26)10-13-27-19-8-6-18(23)7-9-19/h3-9,14,20H,1-2,10-13,15H2,(H,24,26)
InChIKeyUQVGUNGGRZXPNZ-UHFFFAOYSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506817
2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
CID 60563659
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
CID 112506810
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-fluoropyridine-2-carboxamide
CID 167930365
2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014391
2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014584
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119849478
3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 51334262
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 56514738
2-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112506627
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide (CID 55674436) is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide is O=C(CCOc1ccc(F)cc1)NCC(c1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide?
The InChIKey is UQVGUNGGRZXPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O2/c22-17-5-3-4-16(14-17)20(25-11-1-2-12-25)15-24-21(26)10-13-27-19-8-6-18(23)7-9-19/h3-9,14,20H,1-2,10-13,15H2,(H,24,26).
What are the key properties of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide?
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide has a molecular weight of 390.89 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 55674436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).