3,5-dichloro-N-ethoxy-2-iodobenzamide

C9H8Cl2INO2 — CID 60700722

IUPAC3,5-dichloro-N-ethoxy-2-iodobenzamide
SMILESCCONC(=O)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C9H8Cl2INO2/c1-2-15-13-9(14)6-3-5(10)4-7(11)8(6)12/h3-4H,2H2,1H3,(H,13,14)
InChIKeyHIUJRMORETYMOW-UHFFFAOYSA-N
MW359.98 g/mol
LogP3.28
Rot. Bonds3

About 3,5-dichloro-N-ethoxy-2-iodobenzamide

3,5-dichloro-N-ethoxy-2-iodobenzamide (PubChem CID 60700722) has the molecular formula C9H8Cl2INO2 and a molecular weight of 359.98 g/mol. Its IUPAC name is 3,5-dichloro-N-ethoxy-2-iodobenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-ethoxy-2-iodobenzamide
PubChem CID60700722
Molecular FormulaC9H8Cl2INO2
Molecular Weight359.98 g/mol
Exact Mass358.90
IUPAC Name3,5-dichloro-N-ethoxy-2-iodobenzamide
SMILESCCONC(=O)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C9H8Cl2INO2/c1-2-15-13-9(14)6-3-5(10)4-7(11)8(6)12/h3-4H,2H2,1H3,(H,13,14)
InChIKeyHIUJRMORETYMOW-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.98
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3,5-dichloro-2-iodobenzoate
CID 75361260
3,5-dichloro-N-cyclopentyloxy-2-iodobenzamide
CID 83235310
3,5-dichloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-iodobenzamide
CID 107866638
3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide
CID 93033016
2-[(3,5-dichloro-2-iodobenzoyl)amino]-2-methylbutanoic acid
CID 79792974
1-(3,5-dichloro-2-iodophenyl)ethanone
CID 171006627
3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-iodobenzamide
CID 103843634
2,5-dichloro-N-ethoxythiophene-3-carboxamide
CID 47129266
3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide
CID 65036837
3-[(3,5-dichloro-2-iodobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172799
3,5-dichloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 5168739
4-[(3,5-dichloro-2-iodobenzoyl)amino]-2-methylbutanoic acid
CID 80539155

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethoxy-2-iodobenzamide?
The IUPAC name of 3,5-dichloro-N-ethoxy-2-iodobenzamide (CID 60700722) is 3,5-dichloro-N-ethoxy-2-iodobenzamide.
What is the SMILES notation for 3,5-dichloro-N-ethoxy-2-iodobenzamide?
The canonical SMILES for 3,5-dichloro-N-ethoxy-2-iodobenzamide is CCONC(=O)c1cc(Cl)cc(Cl)c1I.
What is the InChIKey of 3,5-dichloro-N-ethoxy-2-iodobenzamide?
The InChIKey is HIUJRMORETYMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2INO2/c1-2-15-13-9(14)6-3-5(10)4-7(11)8(6)12/h3-4H,2H2,1H3,(H,13,14).
What are the key properties of 3,5-dichloro-N-ethoxy-2-iodobenzamide?
3,5-dichloro-N-ethoxy-2-iodobenzamide has a molecular weight of 359.98 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethoxy-2-iodobenzamide is sourced from PubChem (CID 60700722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).