2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide

C20H22FN3O4 — CID 6488163

IUPAC2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CC(O)CN2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C20H22FN3O4/c1-2-28-15-9-7-13(8-10-15)22-19(26)18-11-14(25)12-24(18)20(27)23-17-6-4-3-5-16(17)21/h3-10,14,18,25H,2,11-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyVJALGMCAAXBZTK-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.83
Rot. Bonds5

About 2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide

2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide (PubChem CID 6488163) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
PubChem CID6488163
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CC(O)CN2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C20H22FN3O4/c1-2-28-15-9-7-13(8-10-15)22-19(26)18-11-14(25)12-24(18)20(27)23-17-6-4-3-5-16(17)21/h3-10,14,18,25H,2,11-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyVJALGMCAAXBZTK-UHFFFAOYSA-N
XLogP2.83
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000351
2-methylpropyl (2S,4R)-2-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 1233021
(2R,4R)-1-N-(2-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 7450583
1-[(2-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61182751
(2R,4S)-1-[(4-ethoxyphenyl)carbamothioyl]-4-hydroxypyrrolidine-2-carboxamide
CID 2620727
tert-butyl (2S,4R)-2-[(2-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 41373933
1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
(2R,4R)-2-N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 7450544
(3S)-1-(4-ethoxyphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6549615
(2R,4R)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[4-(2-methoxyphenyl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 59768199
benzyl (2S,4S)-4-hydroxy-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 1279403
2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230278

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide (CID 6488163) is 2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide is CCOc1ccc(NC(=O)C2CC(O)CN2C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide?
The InChIKey is VJALGMCAAXBZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-2-28-15-9-7-13(8-10-15)22-19(26)18-11-14(25)12-24(18)20(27)23-17-6-4-3-5-16(17)21/h3-10,14,18,25H,2,11-12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide?
2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide has a molecular weight of 387.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxyphenyl)-1-N-(2-fluorophenyl)-4-hydroxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 6488163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).