2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide

C11H11I2NO2 — CID 114619036

IUPAC2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C11H11I2NO2/c1-6(2)5-14-11(16)8-3-7(12)4-9(13)10(8)15/h3-4,15H,1,5H2,2H3,(H,14,16)
InChIKeyGNUSSPWQQCEXAM-UHFFFAOYSA-N
MW443.02 g/mol
LogP2.91
Rot. Bonds3

About 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide

2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide (PubChem CID 114619036) has the molecular formula C11H11I2NO2 and a molecular weight of 443.02 g/mol. Its IUPAC name is 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide
PubChem CID114619036
Molecular FormulaC11H11I2NO2
Molecular Weight443.02 g/mol
Exact Mass442.89
IUPAC Name2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CNC(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C11H11I2NO2/c1-6(2)5-14-11(16)8-3-7(12)4-9(13)10(8)15/h3-4,15H,1,5H2,2H3,(H,14,16)
InChIKeyGNUSSPWQQCEXAM-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.02
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-hydroxy-3,5-diiodobenzoyl)amino]-2-methylbutanoic acid
CID 80538597
2-hydroxy-3,5-diiodo-N-methoxybenzamide
CID 60717158
N-ethoxy-2-hydroxy-3,5-diiodobenzamide
CID 60717182
2-hydroxy-3,5-diiodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896329
4-[(2-hydroxy-3,5-diiodobenzoyl)amino]-3-methoxybutanoic acid
CID 103153358
2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide
CID 65119537
2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 107723898
methyl 2-hydroxy-3,5-diiodobenzoate
CID 3695482
2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-3,5-diiodobenzamide
CID 93041920
2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide
CID 61233992
2,5-dimethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
CID 114619039
5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide
CID 114617404

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide (CID 114619036) is 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide is C=C(C)CNC(=O)c1cc(I)cc(I)c1O.
What is the InChIKey of 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is GNUSSPWQQCEXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11I2NO2/c1-6(2)5-14-11(16)8-3-7(12)4-9(13)10(8)15/h3-4,15H,1,5H2,2H3,(H,14,16).
What are the key properties of 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide?
2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 443.02 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 114619036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).