5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide

C20H16IN3O2 — CID 68848540

IUPAC5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(I)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C20H16IN3O2/c1-13-7-8-16(23-19(25)14-4-2-5-15(21)10-14)11-18(13)20(26)24-17-6-3-9-22-12-17/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyXPMWRZRHRBEPLE-UHFFFAOYSA-N
MW457.27 g/mol
LogP4.50
Rot. Bonds4

About 5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide

5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide (PubChem CID 68848540) has the molecular formula C20H16IN3O2 and a molecular weight of 457.27 g/mol. Its IUPAC name is 5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
PubChem CID68848540
Molecular FormulaC20H16IN3O2
Molecular Weight457.27 g/mol
Exact Mass457.03
IUPAC Name5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(I)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C20H16IN3O2/c1-13-7-8-16(23-19(25)14-4-2-5-15(21)10-14)11-18(13)20(26)24-17-6-3-9-22-12-17/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyXPMWRZRHRBEPLE-UHFFFAOYSA-N
XLogP4.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.27
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide (CID 68848540) is 5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide is Cc1ccc(NC(=O)c2cccc(I)c2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is XPMWRZRHRBEPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16IN3O2/c1-13-7-8-16(23-19(25)14-4-2-5-15(21)10-14)11-18(13)20(26)24-17-6-3-9-22-12-17/h2-12H,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide?
5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 457.27 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 68848540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).