1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide

C27H22N2O3 — CID 22051484

IUPAC1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CC(=O)N(c2ccc3ccccc3c2)C1
InChIInChI=1S/C27H22N2O3/c30-26-17-21(18-29(26)23-13-10-19-6-4-5-7-20(19)16-23)27(31)28-22-11-14-25(15-12-22)32-24-8-2-1-3-9-24/h1-16,21H,17-18H2,(H,28,31)
InChIKeyUNLLULRGZKDAEF-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.62
Rot. Bonds5

About 1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide

1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 22051484) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID22051484
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC Name1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CC(=O)N(c2ccc3ccccc3c2)C1
InChIInChI=1S/C27H22N2O3/c30-26-17-21(18-29(26)23-13-10-19-6-4-5-7-20(19)16-23)27(31)28-22-11-14-25(15-12-22)32-24-8-2-1-3-9-24/h1-16,21H,17-18H2,(H,28,31)
InChIKeyUNLLULRGZKDAEF-UHFFFAOYSA-N
XLogP5.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40666345
(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 1088301
1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 84916478
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113185562
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
5-oxo-1-phenyl-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 17080562

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide (CID 22051484) is 1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C1CC(=O)N(c2ccc3ccccc3c2)C1.
What is the InChIKey of 1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is UNLLULRGZKDAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c30-26-17-21(18-29(26)23-13-10-19-6-4-5-7-20(19)16-23)27(31)28-22-11-14-25(15-12-22)32-24-8-2-1-3-9-24/h1-16,21H,17-18H2,(H,28,31).
What are the key properties of 1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 22051484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).