1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

C19H20FN3O3 — CID 647170

IUPAC1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C19H20FN3O3/c1-26-14-7-4-6-13(12-14)21-18(24)17-10-5-11-23(17)19(25)22-16-9-3-2-8-15(16)20/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyUGJBPVAULTZMTD-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.47
Rot. Bonds4

About 1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide

1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 647170) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID647170
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C19H20FN3O3/c1-26-14-7-4-6-13(12-14)21-18(24)17-10-5-11-23(17)19(25)22-16-9-3-2-8-15(16)20/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyUGJBPVAULTZMTD-UHFFFAOYSA-N
XLogP3.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide (CID 647170) is 1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is COc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2F)c1.
What is the InChIKey of 1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is UGJBPVAULTZMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-26-14-7-4-6-13(12-14)21-18(24)17-10-5-11-23(17)19(25)22-16-9-3-2-8-15(16)20/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide?
1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 357.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluorophenyl)-2-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 647170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).