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

C19H20FN3O2 — CID 3219764

IUPAC2-N-[(4-fluorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C19H20FN3O2/c20-15-10-8-14(9-11-15)13-21-18(24)17-7-4-12-23(17)19(25)22-16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,21,24)(H,22,25)
InChIKeyAIQJTUXTQZZSKY-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.14
Rot. Bonds4

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

2-N-[(4-fluorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 3219764) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID3219764
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name2-N-[(4-fluorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C19H20FN3O2/c20-15-10-8-14(9-11-15)13-21-18(24)17-7-4-12-23(17)19(25)22-16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,21,24)(H,22,25)
InChIKeyAIQJTUXTQZZSKY-UHFFFAOYSA-N
XLogP3.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 3219764) is 2-N-[(4-fluorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(NCc1ccc(F)cc1)C1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is AIQJTUXTQZZSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-15-10-8-14(9-11-15)13-21-18(24)17-7-4-12-23(17)19(25)22-16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,21,24)(H,22,25).
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-[(4-fluorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).