3-iodo-N-(2-piperidin-1-ylphenyl)benzamide

C18H19IN2O — CID 4501683

IUPAC3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1cccc(I)c1
InChIInChI=1S/C18H19IN2O/c19-15-8-6-7-14(13-15)18(22)20-16-9-2-3-10-17(16)21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12H2,(H,20,22)
InChIKeyFKHCHTSNEIPURN-UHFFFAOYSA-N
MW406.27 g/mol
LogP4.53
Rot. Bonds3

About 3-iodo-N-(2-piperidin-1-ylphenyl)benzamide

3-iodo-N-(2-piperidin-1-ylphenyl)benzamide (PubChem CID 4501683) has the molecular formula C18H19IN2O and a molecular weight of 406.27 g/mol. Its IUPAC name is 3-iodo-N-(2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
PubChem CID4501683
Molecular FormulaC18H19IN2O
Molecular Weight406.27 g/mol
Exact Mass406.05
IUPAC Name3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1cccc(I)c1
InChIInChI=1S/C18H19IN2O/c19-15-8-6-7-14(13-15)18(22)20-16-9-2-3-10-17(16)21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12H2,(H,20,22)
InChIKeyFKHCHTSNEIPURN-UHFFFAOYSA-N
XLogP4.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.53
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-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 2976682
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
N-(2-piperidin-1-ylphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560100
N-(2-pyrrolidin-1-ylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17313981
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
3-propan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960500
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 2426815
N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996637
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
3,5-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557750

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 3-iodo-N-(2-piperidin-1-ylphenyl)benzamide (CID 4501683) is 3-iodo-N-(2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-iodo-N-(2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-iodo-N-(2-piperidin-1-ylphenyl)benzamide is O=C(Nc1ccccc1N1CCCCC1)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(2-piperidin-1-ylphenyl)benzamide?
The InChIKey is FKHCHTSNEIPURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O/c19-15-8-6-7-14(13-15)18(22)20-16-9-2-3-10-17(16)21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12H2,(H,20,22).
What are the key properties of 3-iodo-N-(2-piperidin-1-ylphenyl)benzamide?
3-iodo-N-(2-piperidin-1-ylphenyl)benzamide has a molecular weight of 406.27 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 4501683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).