N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide

C15H14INO3 — CID 104627784

IUPACN-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide
SMILESCCOc1cccc(NC(=O)c2ccc(I)c(O)c2)c1
InChIInChI=1S/C15H14INO3/c1-2-20-12-5-3-4-11(9-12)17-15(19)10-6-7-13(16)14(18)8-10/h3-9,18H,2H2,1H3,(H,17,19)
InChIKeyIQVPIINXLPVFFL-UHFFFAOYSA-N
MW383.19 g/mol
LogP3.65
Rot. Bonds4

About N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide

N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide (PubChem CID 104627784) has the molecular formula C15H14INO3 and a molecular weight of 383.19 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide
PubChem CID104627784
Molecular FormulaC15H14INO3
Molecular Weight383.19 g/mol
Exact Mass383.00
IUPAC NameN-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide
SMILESCCOc1cccc(NC(=O)c2ccc(I)c(O)c2)c1
InChIInChI=1S/C15H14INO3/c1-2-20-12-5-3-4-11(9-12)17-15(19)10-6-7-13(16)14(18)8-10/h3-9,18H,2H2,1H3,(H,17,19)
InChIKeyIQVPIINXLPVFFL-UHFFFAOYSA-N
XLogP3.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 53.65
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-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
4-carbamothioyl-N-(3-ethoxyphenyl)benzamide
CID 61242679
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide
CID 60933770
N-(3-ethoxyphenyl)-3-methyl-4-(methylamino)benzamide
CID 63213981
3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
CID 60926921
N-(3-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 113434629
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
N-(3-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 71459065
4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097294
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide (CID 104627784) is N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide is CCOc1cccc(NC(=O)c2ccc(I)c(O)c2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide?
The InChIKey is IQVPIINXLPVFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO3/c1-2-20-12-5-3-4-11(9-12)17-15(19)10-6-7-13(16)14(18)8-10/h3-9,18H,2H2,1H3,(H,17,19).
What are the key properties of N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide?
N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide has a molecular weight of 383.19 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104627784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).