N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide

C17H15IN2O2 — CID 9139011

IUPACN-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc(I)cc1)c1ccccc1N1CCCC1=O
InChIInChI=1S/C17H15IN2O2/c18-12-7-9-13(10-8-12)19-17(22)14-4-1-2-5-15(14)20-11-3-6-16(20)21/h1-2,4-5,7-10H,3,6,11H2,(H,19,22)
InChIKeyOWTFFPWLGPWHNC-UHFFFAOYSA-N
MW406.22 g/mol
LogP3.67
Rot. Bonds3

About N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide

N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9139011) has the molecular formula C17H15IN2O2 and a molecular weight of 406.22 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9139011
Molecular FormulaC17H15IN2O2
Molecular Weight406.22 g/mol
Exact Mass406.02
IUPAC NameN-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1ccc(I)cc1)c1ccccc1N1CCCC1=O
InChIInChI=1S/C17H15IN2O2/c18-12-7-9-13(10-8-12)19-17(22)14-4-1-2-5-15(14)20-11-3-6-16(20)21/h1-2,4-5,7-10H,3,6,11H2,(H,19,22)
InChIKeyOWTFFPWLGPWHNC-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-(2,3-dihydro-1H-inden-5-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8927653
N-(3,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17428588
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8541293
1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea
CID 9317516
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9297068
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9148031
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9474100
2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686423
2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686588
methyl 2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 7686676

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide (CID 9139011) is N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide is O=C(Nc1ccc(I)cc1)c1ccccc1N1CCCC1=O.
What is the InChIKey of N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is OWTFFPWLGPWHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2O2/c18-12-7-9-13(10-8-12)19-17(22)14-4-1-2-5-15(14)20-11-3-6-16(20)21/h1-2,4-5,7-10H,3,6,11H2,(H,19,22).
What are the key properties of N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide?
N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)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 N-(4-iodophenyl)-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9139011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).