N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C18H17IN2O3 — CID 46569025

IUPACN-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3cccc(I)c3)CC2=O)cc1
InChIInChI=1S/C18H17IN2O3/c1-24-16-7-5-15(6-8-16)21-11-12(9-17(21)22)18(23)20-14-4-2-3-13(19)10-14/h2-8,10,12H,9,11H2,1H3,(H,20,23)
InChIKeyUQLUCTIAFSCXOS-UHFFFAOYSA-N
MW436.25 g/mol
LogP3.29
Rot. Bonds4

About N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46569025) has the molecular formula C18H17IN2O3 and a molecular weight of 436.25 g/mol. Its IUPAC name is N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46569025
Molecular FormulaC18H17IN2O3
Molecular Weight436.25 g/mol
Exact Mass436.03
IUPAC NameN-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3cccc(I)c3)CC2=O)cc1
InChIInChI=1S/C18H17IN2O3/c1-24-16-7-5-15(6-8-16)21-11-12(9-17(21)22)18(23)20-14-4-2-3-13(19)10-14/h2-8,10,12H,9,11H2,1H3,(H,20,23)
InChIKeyUQLUCTIAFSCXOS-UHFFFAOYSA-N
XLogP3.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 95180907
N-[3-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785662
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
2-[3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351791
(3S)-1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1101181
(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
N-(3-amino-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119420414
(3R)-N-(3,5-difluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7258686
1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46432230
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46569025) is N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3cccc(I)c3)CC2=O)cc1.
What is the InChIKey of N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UQLUCTIAFSCXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17IN2O3/c1-24-16-7-5-15(6-8-16)21-11-12(9-17(21)22)18(23)20-14-4-2-3-13(19)10-14/h2-8,10,12H,9,11H2,1H3,(H,20,23).
What are the key properties of N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 436.25 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46569025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).