4-Ethoxy-3-iodo-5-phenylmethoxybenzamide

Name: 4-Ethoxy-3-iodo-5-phenylmethoxybenzamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₆INO₃ — CID 1008050

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-ethoxy-3-iodo-5-phenylmethoxybenzamide

SMILESCCOc1c(I)cc(C(N)=O)cc1OCc1ccccc1

InChIInChI=1S/C16H16INO3/c1-2-20-15-13(17)8-12(16(18)19)9-14(15)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,18,19)

InChIKeyIANQFYHYFZYVOG-UHFFFAOYSA-N

MW397.21 g/mol

LogP3.37

Rot. Bonds6

About 4-Ethoxy-3-iodo-5-phenylmethoxybenzamide

4-Ethoxy-3-iodo-5-phenylmethoxybenzamide (PubChem CID 1008050) has the molecular formula C₁₆H₁₆INO₃ and a molecular weight of 397.21 g/mol. Its IUPAC name is 4-ethoxy-3-iodo-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name	4-Ethoxy-3-iodo-5-phenylmethoxybenzamide
PubChem CID	1008050
Molecular Formula	C₁₆H₁₆INO₃
Molecular Weight	397.21 g/mol
Exact Mass	397.02
IUPAC Name	4-ethoxy-3-iodo-5-phenylmethoxybenzamide
SMILES	CCOc1c(I)cc(C(N)=O)cc1OCc1ccccc1
InChI	InChI=1S/C16H16INO3/c1-2-20-15-13(17)8-12(16(18)19)9-14(15)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,18,19)
InChIKey	IANQFYHYFZYVOG-UHFFFAOYSA-N
XLogP	3.37
TPSA	61.55 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.21
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-Ethoxy-3-iodo-5-phenylmethoxybenzamide?

The IUPAC name of 4-Ethoxy-3-iodo-5-phenylmethoxybenzamide (CID 1008050) is 4-ethoxy-3-iodo-5-phenylmethoxybenzamide.

What is the SMILES notation for 4-Ethoxy-3-iodo-5-phenylmethoxybenzamide?

The canonical SMILES for 4-Ethoxy-3-iodo-5-phenylmethoxybenzamide is CCOc1c(I)cc(C(N)=O)cc1OCc1ccccc1.

What is the InChIKey of 4-Ethoxy-3-iodo-5-phenylmethoxybenzamide?

The InChIKey is IANQFYHYFZYVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO3/c1-2-20-15-13(17)8-12(16(18)19)9-14(15)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,18,19).

What are the key properties of 4-Ethoxy-3-iodo-5-phenylmethoxybenzamide?

4-Ethoxy-3-iodo-5-phenylmethoxybenzamide has a molecular weight of 397.21 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-Ethoxy-3-iodo-5-phenylmethoxybenzamide is sourced from PubChem (CID 1008050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 1008050 — identifiers, structure, computed properties (public domain)

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