N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide

C18H16FIN2O2 — CID 16918695

IUPACN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide
SMILESO=C(NCC1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1I
InChIInChI=1S/C18H16FIN2O2/c19-13-5-7-14(8-6-13)22-11-12(9-17(22)23)10-21-18(24)15-3-1-2-4-16(15)20/h1-8,12H,9-11H2,(H,21,24)
InChIKeySZXUAJBZOVTUKG-UHFFFAOYSA-N
MW438.24 g/mol
LogP3.21
Rot. Bonds4

About N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide

N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide (PubChem CID 16918695) has the molecular formula C18H16FIN2O2 and a molecular weight of 438.24 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide
PubChem CID16918695
Molecular FormulaC18H16FIN2O2
Molecular Weight438.24 g/mol
Exact Mass438.02
IUPAC NameN-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide
SMILESO=C(NCC1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1I
InChIInChI=1S/C18H16FIN2O2/c19-13-5-7-14(8-6-13)22-11-12(9-17(22)23)10-21-18(24)15-3-1-2-4-16(15)20/h1-8,12H,9-11H2,(H,21,24)
InChIKeySZXUAJBZOVTUKG-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.24
LogP ≤ 53.21
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

N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide
CID 40895555
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40896342
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 40895899
2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918699
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 40805232
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805226
4-tert-butyl-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918670
2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918317
2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 40876673
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,3-diphenylpropanamide
CID 16918752
1-(4-fluorophenyl)-3-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 16920080
methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate
CID 16918311

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide?
The IUPAC name of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide (CID 16918695) is N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide is O=C(NCC1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1I.
What is the InChIKey of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide?
The InChIKey is SZXUAJBZOVTUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FIN2O2/c19-13-5-7-14(8-6-13)22-11-12(9-17(22)23)10-21-18(24)15-3-1-2-4-16(15)20/h1-8,12H,9-11H2,(H,21,24).
What are the key properties of N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide?
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide has a molecular weight of 438.24 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide is sourced from PubChem (CID 16918695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).