3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide

C12H14ClIN2O — CID 103806752

IUPAC3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(I)c(Cl)c1)C1CCNC1
InChIInChI=1S/C12H14ClIN2O/c1-16(9-4-5-15-7-9)12(17)8-2-3-11(14)10(13)6-8/h2-3,6,9,15H,4-5,7H2,1H3
InChIKeyYNPWDJAFAYEUTG-UHFFFAOYSA-N
MW364.61 g/mol
LogP2.38
Rot. Bonds2

About 3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide

3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 103806752) has the molecular formula C12H14ClIN2O and a molecular weight of 364.61 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID103806752
Molecular FormulaC12H14ClIN2O
Molecular Weight364.61 g/mol
Exact Mass363.98
IUPAC Name3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(I)c(Cl)c1)C1CCNC1
InChIInChI=1S/C12H14ClIN2O/c1-16(9-4-5-15-7-9)12(17)8-2-3-11(14)10(13)6-8/h2-3,6,9,15H,4-5,7H2,1H3
InChIKeyYNPWDJAFAYEUTG-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.61
LogP ≤ 52.38
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-(azepan-4-yl)-3-chloro-4-iodo-N-methylbenzamide
CID 104974458
3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide
CID 103737051
3-chloro-N-cycloheptyl-4-iodo-N-methylbenzamide
CID 103221242
3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide
CID 63644238
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 124613574
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 103209645
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
N,4-dimethyl-N-pyrrolidin-3-yl-3-sulfamoylbenzamide;hydrochloride
CID 154750787
1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119554673

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 103806752) is 3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide is CN(C(=O)c1ccc(I)c(Cl)c1)C1CCNC1.
What is the InChIKey of 3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is YNPWDJAFAYEUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClIN2O/c1-16(9-4-5-15-7-9)12(17)8-2-3-11(14)10(13)6-8/h2-3,6,9,15H,4-5,7H2,1H3.
What are the key properties of 3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide?
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 364.61 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 103806752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).