N-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide

C24H21FN2O3 — CID 2927014

IUPACN-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C24H21FN2O3/c25-21-8-4-5-9-22(21)26-24(29)18-14-23(28)27(15-18)19-10-12-20(13-11-19)30-16-17-6-2-1-3-7-17/h1-13,18H,14-16H2,(H,26,29)
InChIKeyCCBHPUHAXMLCHT-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.40
Rot. Bonds6

About N-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide

N-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 2927014) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID2927014
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC NameN-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1F)C1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C24H21FN2O3/c25-21-8-4-5-9-22(21)26-24(29)18-14-23(28)27(15-18)19-10-12-20(13-11-19)30-16-17-6-2-1-3-7-17/h1-13,18H,14-16H2,(H,26,29)
InChIKeyCCBHPUHAXMLCHT-UHFFFAOYSA-N
XLogP4.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10246762
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1-[2-(4-Fluoro-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
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CID 25107858
2-[(3R,4R)-4-benzyl-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)acetamide
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N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964350
1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 3153845
N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
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CID 4883620

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide (CID 2927014) is N-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccccc1F)C1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1.
What is the InChIKey of N-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is CCBHPUHAXMLCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c25-21-8-4-5-9-22(21)26-24(29)18-14-23(28)27(15-18)19-10-12-20(13-11-19)30-16-17-6-2-1-3-7-17/h1-13,18H,14-16H2,(H,26,29).
What are the key properties of N-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide?
N-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2927014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).