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

C20H20ClFN2O2 — CID 113187491

IUPAC1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(Cl)cccc1N1CC(C(=O)NCCc2ccccc2F)CC1=O
InChIInChI=1S/C20H20ClFN2O2/c1-13-16(21)6-4-8-18(13)24-12-15(11-19(24)25)20(26)23-10-9-14-5-2-3-7-17(14)22/h2-8,15H,9-12H2,1H3,(H,23,26)
InChIKeySWFBJMGYYFSBES-UHFFFAOYSA-N
MW374.84 g/mol
LogP3.50
Rot. Bonds5

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

1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113187491) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113187491
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(Cl)cccc1N1CC(C(=O)NCCc2ccccc2F)CC1=O
InChIInChI=1S/C20H20ClFN2O2/c1-13-16(21)6-4-8-18(13)24-12-15(11-19(24)25)20(26)23-10-9-14-5-2-3-7-17(14)22/h2-8,15H,9-12H2,1H3,(H,23,26)
InChIKeySWFBJMGYYFSBES-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113190969
1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186219
1-(2-fluoro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55606546
1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187486
(3R)-1-(3-chloro-2-methylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056272
N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46558078
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185940
N-[2-(2-fluorophenyl)ethyl]-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189825
(3S)-N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30845832
N,1-bis[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184221
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
(3R)-1-(3-chloro-2-methylphenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523156

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 113187491) is 1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1c(Cl)cccc1N1CC(C(=O)NCCc2ccccc2F)CC1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SWFBJMGYYFSBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-13-16(21)6-4-8-18(13)24-12-15(11-19(24)25)20(26)23-10-9-14-5-2-3-7-17(14)22/h2-8,15H,9-12H2,1H3,(H,23,26).
What are the key properties of 1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 374.84 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113187491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).