5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid

C20H19FN2O4 — CID 120528918

IUPAC5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)C2CC(=O)N(C)C2c2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C20H19FN2O4/c1-11-3-8-14(9-15(11)20(26)27)22-19(25)16-10-17(24)23(2)18(16)12-4-6-13(21)7-5-12/h3-9,16,18H,10H2,1-2H3,(H,22,25)(H,26,27)
InChIKeyVASGPILQYYWRMV-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.99
Rot. Bonds4

About 5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid

5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid (PubChem CID 120528918) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid
PubChem CID120528918
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)C2CC(=O)N(C)C2c2ccc(F)cc2)cc1C(=O)O
InChIInChI=1S/C20H19FN2O4/c1-11-3-8-14(9-15(11)20(26)27)22-19(25)16-10-17(24)23(2)18(16)12-4-6-13(21)7-5-12/h3-9,16,18H,10H2,1-2H3,(H,22,25)(H,26,27)
InChIKeyVASGPILQYYWRMV-UHFFFAOYSA-N
XLogP2.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid?
The IUPAC name of 5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid (CID 120528918) is 5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid is Cc1ccc(NC(=O)C2CC(=O)N(C)C2c2ccc(F)cc2)cc1C(=O)O.
What is the InChIKey of 5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid?
The InChIKey is VASGPILQYYWRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-11-3-8-14(9-15(11)20(26)27)22-19(25)16-10-17(24)23(2)18(16)12-4-6-13(21)7-5-12/h3-9,16,18H,10H2,1-2H3,(H,22,25)(H,26,27).
What are the key properties of 5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid?
5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid has a molecular weight of 370.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 120528918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).