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

C18H19IN2O — CID 1308785

IUPAC2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1ccccc1I
InChIInChI=1S/C18H19IN2O/c19-15-9-3-2-8-14(15)18(22)20-16-10-4-5-11-17(16)21-12-6-1-7-13-21/h2-5,8-11H,1,6-7,12-13H2,(H,20,22)
InChIKeyMAZBHGWAZFQNDU-UHFFFAOYSA-N
MW406.27 g/mol
LogP4.53
Rot. Bonds3

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

2-iodo-N-(2-piperidin-1-ylphenyl)benzamide (PubChem CID 1308785) has the molecular formula C18H19IN2O and a molecular weight of 406.27 g/mol. Its IUPAC name is 2-iodo-N-(2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
PubChem CID1308785
Molecular FormulaC18H19IN2O
Molecular Weight406.27 g/mol
Exact Mass406.05
IUPAC Name2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1ccccc1I
InChIInChI=1S/C18H19IN2O/c19-15-9-3-2-8-14(15)18(22)20-16-10-4-5-11-17(16)21-12-6-1-7-13-21/h2-5,8-11H,1,6-7,12-13H2,(H,20,22)
InChIKeyMAZBHGWAZFQNDU-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

2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 30495619
5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 38924649
2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 60788894
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide
CID 1220386
2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 107358573
N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide
CID 55548838
2-iodo-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide
CID 25413509
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 4501683
5-acetyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 11255926

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 2-iodo-N-(2-piperidin-1-ylphenyl)benzamide (CID 1308785) is 2-iodo-N-(2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-iodo-N-(2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 2-iodo-N-(2-piperidin-1-ylphenyl)benzamide is O=C(Nc1ccccc1N1CCCCC1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(2-piperidin-1-ylphenyl)benzamide?
The InChIKey is MAZBHGWAZFQNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O/c19-15-9-3-2-8-14(15)18(22)20-16-10-4-5-11-17(16)21-12-6-1-7-13-21/h2-5,8-11H,1,6-7,12-13H2,(H,20,22).
What are the key properties of 2-iodo-N-(2-piperidin-1-ylphenyl)benzamide?
2-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 2-iodo-N-(2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 1308785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).