3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide

C20H16IN3O3 — CID 60617260

IUPAC3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
SMILESO=C(COc1ccc(I)cc1)Nc1cccc(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C20H16IN3O3/c21-15-7-9-17(10-8-15)27-13-19(25)23-16-5-3-4-14(12-16)20(26)24-18-6-1-2-11-22-18/h1-12H,13H2,(H,23,25)(H,22,24,26)
InChIKeyUEWVRGCMQVBTRY-UHFFFAOYSA-N
MW473.27 g/mol
LogP3.96
Rot. Bonds6

About 3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide

3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide (PubChem CID 60617260) has the molecular formula C20H16IN3O3 and a molecular weight of 473.27 g/mol. Its IUPAC name is 3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
PubChem CID60617260
Molecular FormulaC20H16IN3O3
Molecular Weight473.27 g/mol
Exact Mass473.02
IUPAC Name3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
SMILESO=C(COc1ccc(I)cc1)Nc1cccc(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C20H16IN3O3/c21-15-7-9-17(10-8-15)27-13-19(25)23-16-5-3-4-14(12-16)20(26)24-18-6-1-2-11-22-18/h1-12H,13H2,(H,23,25)(H,22,24,26)
InChIKeyUEWVRGCMQVBTRY-UHFFFAOYSA-N
XLogP3.96
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.27
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acetylphenoxy)-N-pyridin-2-ylacetamide
CID 82312002
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 55783941
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888092
2-(4-chlorophenoxy)-N-(3-iodophenyl)acetamide
CID 7738324
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158844
3-[(2-phenoxyacetyl)amino]benzamide
CID 910367
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197376
4-[2-(3-iodoanilino)-2-oxoethoxy]benzoic acid
CID 43214190
3-[(2-phenoxy-2-phenylacetyl)amino]-N-pyridin-2-ylbenzamide
CID 60617071
3-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-pyridin-2-ylbenzamide
CID 60617315
3-[[4-(octanoylamino)benzoyl]amino]-N-pyridin-2-ylbenzamide
CID 4913337

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide (CID 60617260) is 3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide is O=C(COc1ccc(I)cc1)Nc1cccc(C(=O)Nc2ccccn2)c1.
What is the InChIKey of 3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide?
The InChIKey is UEWVRGCMQVBTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16IN3O3/c21-15-7-9-17(10-8-15)27-13-19(25)23-16-5-3-4-14(12-16)20(26)24-18-6-1-2-11-22-18/h1-12H,13H2,(H,23,25)(H,22,24,26).
What are the key properties of 3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide?
3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide has a molecular weight of 473.27 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-iodophenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 60617260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).