N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide

C24H27FN2O3 — CID 164635844

IUPACN-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide
SMILESO=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C24H27FN2O3/c25-20-7-3-5-17(11-20)16-30-22-10-4-6-19(13-22)24(29)26-14-18-12-23(28)27(15-18)21-8-1-2-9-21/h3-7,10-11,13,18,21H,1-2,8-9,12,14-16H2,(H,26,29)/t18-/m1/s1
InChIKeyDESMLAZIJRDVNZ-GOSISDBHSA-N
MW410.49 g/mol
LogP3.93
Rot. Bonds7

About N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide

N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide (PubChem CID 164635844) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide
PubChem CID164635844
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC NameN-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide
SMILESO=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C24H27FN2O3/c25-20-7-3-5-17(11-20)16-30-22-10-4-6-19(13-22)24(29)26-14-18-12-23(28)27(15-18)21-8-1-2-9-21/h3-7,10-11,13,18,21H,1-2,8-9,12,14-16H2,(H,26,29)/t18-/m1/s1
InChIKeyDESMLAZIJRDVNZ-GOSISDBHSA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide (CID 164635844) is N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide is O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1cccc(OCc2cccc(F)c2)c1.
What is the InChIKey of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide?
The InChIKey is DESMLAZIJRDVNZ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27FN2O3/c25-20-7-3-5-17(11-20)16-30-22-10-4-6-19(13-22)24(29)26-14-18-12-23(28)27(15-18)21-8-1-2-9-21/h3-7,10-11,13,18,21H,1-2,8-9,12,14-16H2,(H,26,29)/t18-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide?
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide has a molecular weight of 410.49 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 164635844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).