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

C14H12ClIN2O — CID 47039296

IUPAC4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(Cc1ccncc1)C(=O)c1ccc(Cl)c(I)c1
InChIInChI=1S/C14H12ClIN2O/c1-18(9-10-4-6-17-7-5-10)14(19)11-2-3-12(15)13(16)8-11/h2-8H,9H2,1H3
InChIKeyJUNBEGIKHKOADZ-UHFFFAOYSA-N
MW386.62 g/mol
LogP3.61
Rot. Bonds3

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

4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 47039296) has the molecular formula C14H12ClIN2O and a molecular weight of 386.62 g/mol. Its IUPAC name is 4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID47039296
Molecular FormulaC14H12ClIN2O
Molecular Weight386.62 g/mol
Exact Mass385.97
IUPAC Name4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCN(Cc1ccncc1)C(=O)c1ccc(Cl)c(I)c1
InChIInChI=1S/C14H12ClIN2O/c1-18(9-10-4-6-17-7-5-10)14(19)11-2-3-12(15)13(16)8-11/h2-8H,9H2,1H3
InChIKeyJUNBEGIKHKOADZ-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

5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 43564503
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62169928
N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-4-carboxamide
CID 113257132
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 55046834
N-[(3,4-dichlorophenyl)methyl]-3-iodo-N-methylbenzamide
CID 60628796
2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 62169933
2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 43564505
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide (CID 47039296) is 4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide is CN(Cc1ccncc1)C(=O)c1ccc(Cl)c(I)c1.
What is the InChIKey of 4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is JUNBEGIKHKOADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O/c1-18(9-10-4-6-17-7-5-10)14(19)11-2-3-12(15)13(16)8-11/h2-8H,9H2,1H3.
What are the key properties of 4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide?
4-chloro-3-iodo-N-methyl-N-(pyridin-4-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 4-chloro-3-iodo-N-methyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 47039296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).