3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide

C14H12ClIN2O — CID 103734687

IUPAC3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H12ClIN2O/c1-18(9-10-3-2-6-17-8-10)14(19)11-4-5-13(16)12(15)7-11/h2-8H,9H2,1H3
InChIKeyQKGRXVMUTKBTSJ-UHFFFAOYSA-N
MW386.62 g/mol
LogP3.61
Rot. Bonds3

About 3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide

3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 103734687) has the molecular formula C14H12ClIN2O and a molecular weight of 386.62 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID103734687
Molecular FormulaC14H12ClIN2O
Molecular Weight386.62 g/mol
Exact Mass385.97
IUPAC Name3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H12ClIN2O/c1-18(9-10-3-2-6-17-8-10)14(19)11-4-5-13(16)12(15)7-11/h2-8H,9H2,1H3
InChIKeyQKGRXVMUTKBTSJ-UHFFFAOYSA-N
XLogP3.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 53.61
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

3-chloro-4-iodo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221595
N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220856
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47039296
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770854
2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 115116120
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 103734687) is 3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide is CN(Cc1cccnc1)C(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is QKGRXVMUTKBTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O/c1-18(9-10-3-2-6-17-8-10)14(19)11-4-5-13(16)12(15)7-11/h2-8H,9H2,1H3.
What are the key properties of 3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 386.62 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 103734687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).