3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C12H16ClIN2O — CID 119454037

IUPAC3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCNC2)cc1I.Cl
InChIInChI=1S/C12H15IN2O.ClH/c1-8-2-3-9(6-11(8)13)12(16)15-10-4-5-14-7-10;/h2-3,6,10,14H,4-5,7H2,1H3,(H,15,16);1H
InChIKeyOMWFWBOBEUCZTG-UHFFFAOYSA-N
MW366.63 g/mol
LogP2.11
Rot. Bonds2

About 3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119454037) has the molecular formula C12H16ClIN2O and a molecular weight of 366.63 g/mol. Its IUPAC name is 3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119454037
Molecular FormulaC12H16ClIN2O
Molecular Weight366.63 g/mol
Exact Mass366.00
IUPAC Name3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCNC2)cc1I.Cl
InChIInChI=1S/C12H15IN2O.ClH/c1-8-2-3-9(6-11(8)13)12(16)15-10-4-5-14-7-10;/h2-3,6,10,14H,4-5,7H2,1H3,(H,15,16);1H
InChIKeyOMWFWBOBEUCZTG-UHFFFAOYSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.63
LogP ≤ 52.11
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

3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 103209637
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
4-methyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55068272
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide
CID 103866566
3-methyl-N-pyrrolidin-3-yl-4-(trifluoromethylsulfonylamino)benzamide;hydrochloride
CID 126789905
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119454037) is 3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is Cc1ccc(C(=O)NC2CCNC2)cc1I.Cl.
What is the InChIKey of 3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is OMWFWBOBEUCZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O.ClH/c1-8-2-3-9(6-11(8)13)12(16)15-10-4-5-14-7-10;/h2-3,6,10,14H,4-5,7H2,1H3,(H,15,16);1H.
What are the key properties of 3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 366.63 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119454037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).