3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C17H15IN2O2 — CID 9050034

IUPAC3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(I)c1
InChIInChI=1S/C17H15IN2O2/c18-13-5-1-4-12(10-13)17(22)19-14-6-2-7-15(11-14)20-9-3-8-16(20)21/h1-2,4-7,10-11H,3,8-9H2,(H,19,22)
InChIKeyIGMUXPSHFMXJEP-UHFFFAOYSA-N
MW406.22 g/mol
LogP3.67
Rot. Bonds3

About 3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 9050034) has the molecular formula C17H15IN2O2 and a molecular weight of 406.22 g/mol. Its IUPAC name is 3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID9050034
Molecular FormulaC17H15IN2O2
Molecular Weight406.22 g/mol
Exact Mass406.02
IUPAC Name3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(I)c1
InChIInChI=1S/C17H15IN2O2/c18-13-5-1-4-12(10-13)17(22)19-14-6-2-7-15(11-14)20-9-3-8-16(20)21/h1-2,4-7,10-11H,3,8-9H2,(H,19,22)
InChIKeyIGMUXPSHFMXJEP-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18138639
3-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687642
3-acetamido-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46471677
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 25472925
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 8589872
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042526
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110618989

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 9050034) is 3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is IGMUXPSHFMXJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O2/c18-13-5-1-4-12(10-13)17(22)19-14-6-2-7-15(11-14)20-9-3-8-16(20)21/h1-2,4-7,10-11H,3,8-9H2,(H,19,22).
What are the key properties of 3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 406.22 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 9050034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).