4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide

C12H15IN2O — CID 80564144

IUPAC4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCNC1)c1ccc(I)cc1
InChIInChI=1S/C12H15IN2O/c13-11-3-1-10(2-4-11)12(16)15-8-9-5-6-14-7-9/h1-4,9,14H,5-8H2,(H,15,16)
InChIKeyRPGODZMZNSUFDE-UHFFFAOYSA-N
MW330.17 g/mol
LogP1.63
Rot. Bonds3

About 4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide

4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide (PubChem CID 80564144) has the molecular formula C12H15IN2O and a molecular weight of 330.17 g/mol. Its IUPAC name is 4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
PubChem CID80564144
Molecular FormulaC12H15IN2O
Molecular Weight330.17 g/mol
Exact Mass330.02
IUPAC Name4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCNC1)c1ccc(I)cc1
InChIInChI=1S/C12H15IN2O/c13-11-3-1-10(2-4-11)12(16)15-8-9-5-6-14-7-9/h1-4,9,14H,5-8H2,(H,15,16)
InChIKeyRPGODZMZNSUFDE-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 51.63
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

4-nitro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564436
4-methylsulfonyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564844
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 114103391
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464322
N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide
CID 71645410
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide?
The IUPAC name of 4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide (CID 80564144) is 4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide?
The canonical SMILES for 4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide is O=C(NCC1CCNC1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide?
The InChIKey is RPGODZMZNSUFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O/c13-11-3-1-10(2-4-11)12(16)15-8-9-5-6-14-7-9/h1-4,9,14H,5-8H2,(H,15,16).
What are the key properties of 4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide?
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide has a molecular weight of 330.17 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide is sourced from PubChem (CID 80564144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).