3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide

C13H17IN2O — CID 60682573

IUPAC3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1cccc(I)c1
InChIInChI=1S/C13H17IN2O/c14-12-5-3-4-11(10-12)13(17)15-6-9-16-7-1-2-8-16/h3-5,10H,1-2,6-9H2,(H,15,17)
InChIKeyXUKMFXGQYKTHQN-UHFFFAOYSA-N
MW344.20 g/mol
LogP2.12
Rot. Bonds4

About 3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide

3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 60682573) has the molecular formula C13H17IN2O and a molecular weight of 344.20 g/mol. Its IUPAC name is 3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID60682573
Molecular FormulaC13H17IN2O
Molecular Weight344.20 g/mol
Exact Mass344.04
IUPAC Name3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1cccc(I)c1
InChIInChI=1S/C13H17IN2O/c14-12-5-3-4-11(10-12)13(17)15-6-9-16-7-1-2-8-16/h3-5,10H,1-2,6-9H2,(H,15,17)
InChIKeyXUKMFXGQYKTHQN-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.12
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

3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-iodobenzamide
CID 94188113
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735
3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide
CID 104627715
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-iodobenzamide
CID 37095031
3-iodo-N-(2-sulfanylethyl)benzamide
CID 130616001
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 10452834

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 60682573) is 3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C(NCCN1CCCC1)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is XUKMFXGQYKTHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O/c14-12-5-3-4-11(10-12)13(17)15-6-9-16-7-1-2-8-16/h3-5,10H,1-2,6-9H2,(H,15,17).
What are the key properties of 3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide?
3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 344.20 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 60682573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).