2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide

C20H20FN3O3 — CID 3230233

IUPAC2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C20H20FN3O3/c1-13(25)14-8-10-15(11-9-14)22-19(26)18-7-4-12-24(18)20(27)23-17-6-3-2-5-16(17)21/h2-3,5-6,8-11,18H,4,7,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyNUNDTBOWSLQOMO-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.66
Rot. Bonds4

About 2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide

2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230233) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230233
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C20H20FN3O3/c1-13(25)14-8-10-15(11-9-14)22-19(26)18-7-4-12-24(18)20(27)23-17-6-3-2-5-16(17)21/h2-3,5-6,8-11,18H,4,7,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyNUNDTBOWSLQOMO-UHFFFAOYSA-N
XLogP3.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-acetylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754583
2-N-(4-acetylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814291
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
1-(4-fluorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 46756299
(2R)-2-N-(4-acetylphenyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 51426368
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 92664892
1-N-(3-acetylphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 651368
(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 92668196
(2R)-N-(2-fluorophenyl)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 95769870

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide (CID 3230233) is 2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide is CC(=O)c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is NUNDTBOWSLQOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-13(25)14-8-10-15(11-9-14)22-19(26)18-7-4-12-24(18)20(27)23-17-6-3-2-5-16(17)21/h2-3,5-6,8-11,18H,4,7,12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide?
2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-acetylphenyl)-1-N-(2-fluorophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).