2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide

C21H18IN3O2 — CID 100525900

IUPAC2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c(I)c1
InChIInChI=1S/C21H18IN3O2/c1-14-8-9-16(18(22)11-14)21(27)25-19-7-3-2-6-17(19)20(26)24-13-15-5-4-10-23-12-15/h2-12H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyNXPXYXFCVZOOKQ-UHFFFAOYSA-N
MW471.30 g/mol
LogP4.18
Rot. Bonds5

About 2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide

2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 100525900) has the molecular formula C21H18IN3O2 and a molecular weight of 471.30 g/mol. Its IUPAC name is 2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID100525900
Molecular FormulaC21H18IN3O2
Molecular Weight471.30 g/mol
Exact Mass471.04
IUPAC Name2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c(I)c1
InChIInChI=1S/C21H18IN3O2/c1-14-8-9-16(18(22)11-14)21(27)25-19-7-3-2-6-17(19)20(26)24-13-15-5-4-10-23-12-15/h2-12H,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyNXPXYXFCVZOOKQ-UHFFFAOYSA-N
XLogP4.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.30
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-iodo-4-methylbenzamide
CID 100523072
2-[(4-methylphenyl)carbamothioylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 100639374
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 21173810
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 29238976
4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100500766
2-[(3-chlorobenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6457396
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 125490402
2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 100525876

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide (CID 100525900) is 2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)c(I)c1.
What is the InChIKey of 2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is NXPXYXFCVZOOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18IN3O2/c1-14-8-9-16(18(22)11-14)21(27)25-19-7-3-2-6-17(19)20(26)24-13-15-5-4-10-23-12-15/h2-12H,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide?
2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 471.30 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 100525900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).