3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide

C15H15IN2O — CID 60653685

IUPAC3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(CCc1ccccn1)C(=O)c1cccc(I)c1
InChIInChI=1S/C15H15IN2O/c1-18(10-8-14-7-2-3-9-17-14)15(19)12-5-4-6-13(16)11-12/h2-7,9,11H,8,10H2,1H3
InChIKeyNOAHDQQNDIJZCQ-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.00
Rot. Bonds4

About 3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide

3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 60653685) has the molecular formula C15H15IN2O and a molecular weight of 366.20 g/mol. Its IUPAC name is 3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID60653685
Molecular FormulaC15H15IN2O
Molecular Weight366.20 g/mol
Exact Mass366.02
IUPAC Name3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
SMILESCN(CCc1ccccn1)C(=O)c1cccc(I)c1
InChIInChI=1S/C15H15IN2O/c1-18(10-8-14-7-2-3-9-17-14)15(19)12-5-4-6-13(16)11-12/h2-7,9,11H,8,10H2,1H3
InChIKeyNOAHDQQNDIJZCQ-UHFFFAOYSA-N
XLogP3.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115115934
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 134008758
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 66463680
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 58791114

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide (CID 60653685) is 3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide is CN(CCc1ccccn1)C(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is NOAHDQQNDIJZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O/c1-18(10-8-14-7-2-3-9-17-14)15(19)12-5-4-6-13(16)11-12/h2-7,9,11H,8,10H2,1H3.
What are the key properties of 3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide?
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 366.20 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 60653685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).