2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C14H20ClIN2O — CID 119534818

IUPAC2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1cccc(C(=O)NCCC2CCNC2)c1I.Cl
InChIInChI=1S/C14H19IN2O.ClH/c1-10-3-2-4-12(13(10)15)14(18)17-8-6-11-5-7-16-9-11;/h2-4,11,16H,5-9H2,1H3,(H,17,18);1H
InChIKeyPEODZXGTSVXMAB-UHFFFAOYSA-N
MW394.68 g/mol
LogP2.75
Rot. Bonds4

About 2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119534818) has the molecular formula C14H20ClIN2O and a molecular weight of 394.68 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119534818
Molecular FormulaC14H20ClIN2O
Molecular Weight394.68 g/mol
Exact Mass394.03
IUPAC Name2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1cccc(C(=O)NCCC2CCNC2)c1I.Cl
InChIInChI=1S/C14H19IN2O.ClH/c1-10-3-2-4-12(13(10)15)14(18)17-8-6-11-5-7-16-9-11;/h2-4,11,16H,5-9H2,1H3,(H,17,18);1H
InChIKeyPEODZXGTSVXMAB-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.68
LogP ≤ 52.75
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-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119538084
2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 81479636
2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387158
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
CID 98571226
2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
CID 119537626
2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119537084
3,7-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119538086

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119534818) is 2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is Cc1cccc(C(=O)NCCC2CCNC2)c1I.Cl.
What is the InChIKey of 2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is PEODZXGTSVXMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O.ClH/c1-10-3-2-4-12(13(10)15)14(18)17-8-6-11-5-7-16-9-11;/h2-4,11,16H,5-9H2,1H3,(H,17,18);1H.
What are the key properties of 2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 394.68 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119534818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).