N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H21FN2O2 — CID 17120668

IUPACN-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NCCc3ccc(F)cc3)CC2=O)c1
InChIInChI=1S/C20H21FN2O2/c1-14-3-2-4-18(11-14)23-13-16(12-19(23)24)20(25)22-10-9-15-5-7-17(21)8-6-15/h2-8,11,16H,9-10,12-13H2,1H3,(H,22,25)
InChIKeyKMYGKIPTGMNWIH-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17120668) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17120668
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NCCc3ccc(F)cc3)CC2=O)c1
InChIInChI=1S/C20H21FN2O2/c1-14-3-2-4-18(11-14)23-13-16(12-19(23)24)20(25)22-10-9-15-5-7-17(21)8-6-15/h2-8,11,16H,9-10,12-13H2,1H3,(H,22,25)
InChIKeyKMYGKIPTGMNWIH-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17120911
1-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46584016
1-(2,6-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186220
(3S)-1-(3-fluorophenyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93017520
N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185970
(3R)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 92727060
(3S)-1-(3-acetamidophenyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 92727059
(3R)-1-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 28892382
1-(4-acetylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113188903
(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017561
N-[2-(4-chlorophenyl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18107857
N-[3-(dimethylamino)propyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120540

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17120668) is N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)NCCc3ccc(F)cc3)CC2=O)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KMYGKIPTGMNWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14-3-2-4-18(11-14)23-13-16(12-19(23)24)20(25)22-10-9-15-5-7-17(21)8-6-15/h2-8,11,16H,9-10,12-13H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17120668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).