(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C17H15IN2O2 — CID 1286852

IUPAC(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H15IN2O2/c18-13-6-8-14(9-7-13)19-17(22)12-10-16(21)20(11-12)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,19,22)/t12-/m1/s1
InChIKeyDZTZCBCOILIFEN-GFCCVEGCSA-N
MW406.22 g/mol
LogP3.28
Rot. Bonds3

About (3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 1286852) has the molecular formula C17H15IN2O2 and a molecular weight of 406.22 g/mol. Its IUPAC name is (3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID1286852
Molecular FormulaC17H15IN2O2
Molecular Weight406.22 g/mol
Exact Mass406.02
IUPAC Name(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(I)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H15IN2O2/c18-13-6-8-14(9-7-13)19-17(22)12-10-16(21)20(11-12)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,19,22)/t12-/m1/s1
InChIKeyDZTZCBCOILIFEN-GFCCVEGCSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(4-bromophenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1286829
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7325425
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713
(3R)-N-(3,5-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350735
N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153911

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 1286852) is (3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccc(I)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is DZTZCBCOILIFEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15IN2O2/c18-13-6-8-14(9-7-13)19-17(22)12-10-16(21)20(11-12)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,19,22)/t12-/m1/s1.
What are the key properties of (3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 406.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 1286852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).