N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C20H21FN2O2 — CID 94012016

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c1-14(16-8-10-18(21)11-9-16)22-20(25)17-6-4-15(5-7-17)13-23-12-2-3-19(23)24/h4-11,14H,2-3,12-13H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyKXMIQIGISXHYNL-CQSZACIVSA-N
MW340.40 g/mol
LogP3.44
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 94012016) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID94012016
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c1-14(16-8-10-18(21)11-9-16)22-20(25)17-6-4-15(5-7-17)13-23-12-2-3-19(23)24/h4-11,14H,2-3,12-13H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyKXMIQIGISXHYNL-CQSZACIVSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
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N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99946484
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 94012016) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is KXMIQIGISXHYNL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14(16-8-10-18(21)11-9-16)22-20(25)17-6-4-15(5-7-17)13-23-12-2-3-19(23)24/h4-11,14H,2-3,12-13H2,1H3,(H,22,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 340.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 94012016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).