2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide

C18H18FN3O2 — CID 43814809

IUPAC2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C18H18FN3O2/c19-13-8-10-15(11-9-13)20-17(23)16-7-4-12-22(16)18(24)21-14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12H2,(H,20,23)(H,21,24)
InChIKeyTZBZSZVDEQJAHD-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.46
Rot. Bonds3

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

2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 43814809) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID43814809
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C18H18FN3O2/c19-13-8-10-15(11-9-13)20-17(23)16-7-4-12-22(16)18(24)21-14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12H2,(H,20,23)(H,21,24)
InChIKeyTZBZSZVDEQJAHD-UHFFFAOYSA-N
XLogP3.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
(2R)-2-N-(4-fluorophenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468879
(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445811
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
2-N-(2,3-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 3219650
(2R)-1-N-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468552
(2R)-2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 51552699
2-N-(3-methoxyphenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792717
(2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1468810
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 24792295
(2R)-1-N-phenyl-2-N-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51687470

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 43814809) is 2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(Nc1ccc(F)cc1)C1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is TZBZSZVDEQJAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-13-8-10-15(11-9-13)20-17(23)16-7-4-12-22(16)18(24)21-14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12H2,(H,20,23)(H,21,24).
What are the key properties of 2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 43814809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).