N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H19FN2O2 — CID 3797114

IUPACN-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cc(C)ccc3F)CC2=O)cc1
InChIInChI=1S/C19H19FN2O2/c1-12-3-6-15(7-4-12)22-11-14(10-18(22)23)19(24)21-17-9-13(2)5-8-16(17)20/h3-9,14H,10-11H2,1-2H3,(H,21,24)
InChIKeyFOEGCJTWAXQWRB-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.43
Rot. Bonds3

About N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3797114) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3797114
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3cc(C)ccc3F)CC2=O)cc1
InChIInChI=1S/C19H19FN2O2/c1-12-3-6-15(7-4-12)22-11-14(10-18(22)23)19(24)21-17-9-13(2)5-8-16(17)20/h3-9,14H,10-11H2,1-2H3,(H,21,24)
InChIKeyFOEGCJTWAXQWRB-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 3797114) is N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3cc(C)ccc3F)CC2=O)cc1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FOEGCJTWAXQWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-3-6-15(7-4-12)22-11-14(10-18(22)23)19(24)21-17-9-13(2)5-8-16(17)20/h3-9,14H,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3797114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).