2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide

C11H11F3INO2 — CID 113246125

IUPAC2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide
SMILESO=C(NCCCC(F)(F)F)c1cc(I)ccc1O
InChIInChI=1S/C11H11F3INO2/c12-11(13,14)4-1-5-16-10(18)8-6-7(15)2-3-9(8)17/h2-3,6,17H,1,4-5H2,(H,16,18)
InChIKeyKROWNROZHAFOQV-UHFFFAOYSA-N
MW373.11 g/mol
LogP3.07
Rot. Bonds4

About 2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide

2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide (PubChem CID 113246125) has the molecular formula C11H11F3INO2 and a molecular weight of 373.11 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide
PubChem CID113246125
Molecular FormulaC11H11F3INO2
Molecular Weight373.11 g/mol
Exact Mass372.98
IUPAC Name2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide
SMILESO=C(NCCCC(F)(F)F)c1cc(I)ccc1O
InChIInChI=1S/C11H11F3INO2/c12-11(13,14)4-1-5-16-10(18)8-6-7(15)2-3-9(8)17/h2-3,6,17H,1,4-5H2,(H,16,18)
InChIKeyKROWNROZHAFOQV-UHFFFAOYSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.11
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide
CID 103713631
4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 79039211
3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 104629259
N-(3-cyclopentylpropyl)-2-hydroxy-5-iodobenzamide
CID 106011699
2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 113226265
2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide
CID 107732069
4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578
2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 113226775
2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide
CID 103725448
N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
N-(2-fluoroethyl)-2,5-dihydroxybenzamide
CID 130504504
2-hydroxy-5-iodo-N-(2-morpholin-4-ylethyl)benzamide
CID 103600398

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide (CID 113246125) is 2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide is O=C(NCCCC(F)(F)F)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide?
The InChIKey is KROWNROZHAFOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3INO2/c12-11(13,14)4-1-5-16-10(18)8-6-7(15)2-3-9(8)17/h2-3,6,17H,1,4-5H2,(H,16,18).
What are the key properties of 2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide?
2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide has a molecular weight of 373.11 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide is sourced from PubChem (CID 113246125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).