4-ethoxy-3-iodo-5-phenylmethoxybenzamide

C16H16INO3 — CID 1008050

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 Name4-ethoxy-3-iodo-5-phenylmethoxybenzamide
PubChem CID1008050
Molecular FormulaC16H16INO3
Molecular Weight397.21 g/mol
Exact Mass397.02
IUPAC Name4-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
XLogP3.37
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.21
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide
CID 91682374
3-ethoxy-5-iodo-4-phenylmethoxybenzoyl chloride
CID 91682355
4-ethoxy-3,5-diiodobenzamide
CID 24834347
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
ethyl 3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]benzoate
CID 91682320
3-methoxy-5-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybenzamide
CID 126484008
3-iodo-5-methoxy-4-phenylmethoxybenzoyl chloride
CID 91689903
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]benzoyl chloride
CID 91682361
3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide
CID 2222138
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020

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).