5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide

C14H12BrIN2O — CID 47391163

IUPAC5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(Cc1ccccn1)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C14H12BrIN2O/c1-18(9-11-4-2-3-7-17-11)14(19)12-8-10(15)5-6-13(12)16/h2-8H,9H2,1H3
InChIKeyNZKFXKORSWLTRQ-UHFFFAOYSA-N
MW431.07 g/mol
LogP3.72
Rot. Bonds3

About 5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide

5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 47391163) has the molecular formula C14H12BrIN2O and a molecular weight of 431.07 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID47391163
Molecular FormulaC14H12BrIN2O
Molecular Weight431.07 g/mol
Exact Mass429.92
IUPAC Name5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(Cc1ccccn1)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C14H12BrIN2O/c1-18(9-11-4-2-3-7-17-11)14(19)12-8-10(15)5-6-13(12)16/h2-8H,9H2,1H3
InChIKeyNZKFXKORSWLTRQ-UHFFFAOYSA-N
XLogP3.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.07
LogP ≤ 53.72
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

5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600040
3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 104627774
5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 71888966
5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103600356
5-bromo-N-[(4-fluorophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600097
N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 55981283
5-amino-N,2-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 61291923
4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 86824171
5-chloro-2-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565718
5-bromo-2-iodo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31844680
5-bromo-2-iodo-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64512191
5-amino-N-methyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 43565776

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 47391163) is 5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide is CN(Cc1ccccn1)C(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is NZKFXKORSWLTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrIN2O/c1-18(9-11-4-2-3-7-17-11)14(19)12-8-10(15)5-6-13(12)16/h2-8H,9H2,1H3.
What are the key properties of 5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 431.07 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 47391163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).