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

C20H21FN2O2 — CID 34904790

IUPAC(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H21FN2O2/c1-22(12-16-8-5-9-18(21)10-16)20(25)17-11-19(24)23(14-17)13-15-6-3-2-4-7-15/h2-10,17H,11-14H2,1H3/t17-/m0/s1
InChIKeyXHKPFFWZPZSEJS-KRWDZBQOSA-N
MW340.40 g/mol
LogP2.83
Rot. Bonds5

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

(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 34904790) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID34904790
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C20H21FN2O2/c1-22(12-16-8-5-9-18(21)10-16)20(25)17-11-19(24)23(14-17)13-15-6-3-2-4-7-15/h2-10,17H,11-14H2,1H3/t17-/m0/s1
InChIKeyXHKPFFWZPZSEJS-KRWDZBQOSA-N
XLogP2.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
N-benzyl-1-[2-(3-chlorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113185793
(3S)-1-(furan-2-ylmethyl)-N-[(3-hydroxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998484
N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183539
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151
(3R)-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 42097750
N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113192236
N,1-dibenzyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 75981218
(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 93017351
1-benzyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 86925371
N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113182506

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 34904790) is (3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(Cc1cccc(F)c1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XHKPFFWZPZSEJS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-22(12-16-8-5-9-18(21)10-16)20(25)17-11-19(24)23(14-17)13-15-6-3-2-4-7-15/h2-10,17H,11-14H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 34904790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).