1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide

C19H19F2N3O2 — CID 3230246

IUPAC1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H19F2N3O2/c20-14-8-6-13(7-9-14)12-22-18(25)17-5-2-10-24(17)19(26)23-16-4-1-3-15(21)11-16/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,22,25)(H,23,26)
InChIKeyQTHSSHVKGNIBCE-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.28
Rot. Bonds4

About 1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide

1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 3230246) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID3230246
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H19F2N3O2/c20-14-8-6-13(7-9-14)12-22-18(25)17-5-2-10-24(17)19(26)23-16-4-1-3-15(21)11-16/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,22,25)(H,23,26)
InChIKeyQTHSSHVKGNIBCE-UHFFFAOYSA-N
XLogP3.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide (CID 3230246) is 1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide is O=C(NCc1ccc(F)cc1)C1CCCN1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is QTHSSHVKGNIBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c20-14-8-6-13(7-9-14)12-22-18(25)17-5-2-10-24(17)19(26)23-16-4-1-3-15(21)11-16/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,22,25)(H,23,26).
What are the key properties of 1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide?
1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 359.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).