1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

C24H22ClFN4O4 — CID 57448115

IUPAC1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCOC1CC(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)
InChIKeyQQBKAVAGLMGMHI-UHFFFAOYSA-N
MW484.92 g/mol
LogP3.89
Rot. Bonds5

About 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 57448115) has the molecular formula C24H22ClFN4O4 and a molecular weight of 484.92 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID57448115
Molecular FormulaC24H22ClFN4O4
Molecular Weight484.92 g/mol
Exact Mass484.13
IUPAC Name1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCOC1CC(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)
InChIKeyQQBKAVAGLMGMHI-UHFFFAOYSA-N
XLogP3.89
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.92
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (CID 57448115) is 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is COC1CC(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is QQBKAVAGLMGMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32).
What are the key properties of 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 484.92 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 57448115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).