3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide

C12H15IN2O — CID 107422680

IUPAC3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide
SMILESCC1(NC(=O)c2cccc(I)c2)CCNC1
InChIInChI=1S/C12H15IN2O/c1-12(5-6-14-8-12)15-11(16)9-3-2-4-10(13)7-9/h2-4,7,14H,5-6,8H2,1H3,(H,15,16)
InChIKeyNYFUOWBKGVNTGD-UHFFFAOYSA-N
MW330.17 g/mol
LogP1.77
Rot. Bonds2

About 3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide

3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide (PubChem CID 107422680) has the molecular formula C12H15IN2O and a molecular weight of 330.17 g/mol. Its IUPAC name is 3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide
PubChem CID107422680
Molecular FormulaC12H15IN2O
Molecular Weight330.17 g/mol
Exact Mass330.02
IUPAC Name3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide
SMILESCC1(NC(=O)c2cccc(I)c2)CCNC1
InChIInChI=1S/C12H15IN2O/c1-12(5-6-14-8-12)15-11(16)9-3-2-4-10(13)7-9/h2-4,7,14H,5-6,8H2,1H3,(H,15,16)
InChIKeyNYFUOWBKGVNTGD-UHFFFAOYSA-N
XLogP1.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylpyrrolidin-3-yl)pyridazine-4-carboxamide
CID 107423050
2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422948
N-(3-methylpyrrolidin-3-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 107422530
2-bromo-6-fluoro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422756
N-(1-cyanocyclopentyl)-3-iodobenzamide
CID 60659200
3-hydroxy-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107423037
5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107423069
7-bromo-N-(3-methylpyrrolidin-3-yl)-1-benzofuran-2-carboxamide
CID 107422643
N-(1-cyanocycloheptyl)-3-iodobenzamide
CID 54904742
3-methyl-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107422634
N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 166243490
(3,3-dimethylpyrrolidin-1-yl)-(3-iodophenyl)methanone
CID 79036864

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide (CID 107422680) is 3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide is CC1(NC(=O)c2cccc(I)c2)CCNC1.
What is the InChIKey of 3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide?
The InChIKey is NYFUOWBKGVNTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O/c1-12(5-6-14-8-12)15-11(16)9-3-2-4-10(13)7-9/h2-4,7,14H,5-6,8H2,1H3,(H,15,16).
What are the key properties of 3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide?
3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide has a molecular weight of 330.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(3-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 107422680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).