N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

C20H21FN2O2 — CID 46247167

IUPACN-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)CCC(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C20H21FN2O2/c1-20(19(25)22-13-15-6-3-2-4-7-15)11-10-18(24)23(20)14-16-8-5-9-17(21)12-16/h2-9,12H,10-11,13-14H2,1H3,(H,22,25)
InChIKeyTZNJVTSNFJIEOM-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.02
Rot. Bonds5

About N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 46247167) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID46247167
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCc2ccccc2)CCC(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C20H21FN2O2/c1-20(19(25)22-13-15-6-3-2-4-7-15)11-10-18(24)23(20)14-16-8-5-9-17(21)12-16/h2-9,12H,10-11,13-14H2,1H3,(H,22,25)
InChIKeyTZNJVTSNFJIEOM-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247154
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247157
(2S)-N-cyclopentyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92719907
N-benzyl-2-methyl-5-oxo-1-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 46247148
(2R)-N-benzyl-2-methyl-1-[2-(4-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92719936
(2R)-N-benzyl-2-methyl-1-[2-(2-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92734431
methyl (6R)-6-(benzylcarbamoyl)-7-[(3-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carboxylate
CID 92891814
(2R)-N-benzyl-1-[2-(2-chlorophenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92734433
N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 46363694
(2R)-N-benzyl-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92734417
N-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361539
1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide
CID 15312227

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 46247167) is N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is CC1(C(=O)NCc2ccccc2)CCC(=O)N1Cc1cccc(F)c1.
What is the InChIKey of N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is TZNJVTSNFJIEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-20(19(25)22-13-15-6-3-2-4-7-15)11-10-18(24)23(20)14-16-8-5-9-17(21)12-16/h2-9,12H,10-11,13-14H2,1H3,(H,22,25).
What are the key properties of N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46247167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).