3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide

C11H12Cl2INO2 — CID 65036837

IUPAC3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide
SMILESCC(CO)CNC(=O)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C11H12Cl2INO2/c1-6(5-16)4-15-11(17)8-2-7(12)3-9(13)10(8)14/h2-3,6,16H,4-5H2,1H3,(H,15,17)
InChIKeyZHUWDAWNCPOYPL-UHFFFAOYSA-N
MW388.03 g/mol
LogP2.96
Rot. Bonds4

About 3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide

3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide (PubChem CID 65036837) has the molecular formula C11H12Cl2INO2 and a molecular weight of 388.03 g/mol. Its IUPAC name is 3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide
PubChem CID65036837
Molecular FormulaC11H12Cl2INO2
Molecular Weight388.03 g/mol
Exact Mass386.93
IUPAC Name3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide
SMILESCC(CO)CNC(=O)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C11H12Cl2INO2/c1-6(5-16)4-15-11(17)8-2-7(12)3-9(13)10(8)14/h2-3,6,16H,4-5H2,1H3,(H,15,17)
InChIKeyZHUWDAWNCPOYPL-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.03
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,5-dichloro-2-iodobenzoyl)amino]-2-methylbutanoic acid
CID 80539155
3,5-dichloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-iodobenzamide
CID 103843634
3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide
CID 93033016
3-[(3,5-dichloro-2-iodobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172799
2-chloro-N-(3-hydroxy-2-methylpropyl)-5-sulfanylbenzamide
CID 107031103
3,5-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]-2-iodobenzamide
CID 107232664
3,5-dichloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-iodobenzamide
CID 107866638
3,5-dichloro-N-ethoxy-2-iodobenzamide
CID 60700722
3-[(3,5-dichloro-2-iodobenzoyl)-propan-2-ylamino]propanoic acid
CID 60832093
2-[(3,5-dichloro-2-iodobenzoyl)amino]-2-methylbutanoic acid
CID 79792974
1-(3,5-dichloro-2-iodophenyl)ethanone
CID 171006627
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide?
The IUPAC name of 3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide (CID 65036837) is 3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide.
What is the SMILES notation for 3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide?
The canonical SMILES for 3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide is CC(CO)CNC(=O)c1cc(Cl)cc(Cl)c1I.
What is the InChIKey of 3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide?
The InChIKey is ZHUWDAWNCPOYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2INO2/c1-6(5-16)4-15-11(17)8-2-7(12)3-9(13)10(8)14/h2-3,6,16H,4-5H2,1H3,(H,15,17).
What are the key properties of 3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide?
3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide has a molecular weight of 388.03 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide is sourced from PubChem (CID 65036837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).