2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide

C10H9F3INO2 — CID 103713631

IUPAC2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1cc(I)ccc1O
InChIInChI=1S/C10H9F3INO2/c11-10(12,13)3-4-15-9(17)7-5-6(14)1-2-8(7)16/h1-2,5,16H,3-4H2,(H,15,17)
InChIKeyDABONJCLNKSXRA-UHFFFAOYSA-N
MW359.09 g/mol
LogP2.68
Rot. Bonds3

About 2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide

2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 103713631) has the molecular formula C10H9F3INO2 and a molecular weight of 359.09 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID103713631
Molecular FormulaC10H9F3INO2
Molecular Weight359.09 g/mol
Exact Mass358.96
IUPAC Name2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1cc(I)ccc1O
InChIInChI=1S/C10H9F3INO2/c11-10(12,13)3-4-15-9(17)7-5-6(14)1-2-8(7)16/h1-2,5,16H,3-4H2,(H,15,17)
InChIKeyDABONJCLNKSXRA-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.09
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 113246125
2-hydroxy-5-iodo-N-[2-(propylamino)ethyl]benzamide
CID 107732069
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-(3-cyclopentylpropyl)-2-hydroxy-5-iodobenzamide
CID 106011699
2-hydroxy-5-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 113226265
2-hydroxy-5-iodo-N-(2-methylpropyl)benzamide
CID 103600394
N-[(4-fluorophenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 27256756
2-hydroxy-5-iodo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 103604687
2-hydroxy-5-iodo-N-(2-morpholin-4-ylethyl)benzamide
CID 103600398
N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-iodobenzamide
CID 114153815
N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 103614051

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide (CID 103713631) is 2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide is O=C(NCCC(F)(F)F)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is DABONJCLNKSXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3INO2/c11-10(12,13)3-4-15-9(17)7-5-6(14)1-2-8(7)16/h1-2,5,16H,3-4H2,(H,15,17).
What are the key properties of 2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide?
2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 359.09 g/mol, XLogP of 2.68, 3 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-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 103713631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).