4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide

C11H13FINO3 — CID 103857248

IUPAC4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide
SMILESO=C(c1ccc(F)cc1I)N(CCO)CCO
InChIInChI=1S/C11H13FINO3/c12-8-1-2-9(10(13)7-8)11(17)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6H2
InChIKeyAMEZHSRUXGNPAE-UHFFFAOYSA-N
MW353.13 g/mol
LogP0.86
Rot. Bonds5

About 4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide

4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide (PubChem CID 103857248) has the molecular formula C11H13FINO3 and a molecular weight of 353.13 g/mol. Its IUPAC name is 4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide.

Molecular Properties

Compound Name4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide
PubChem CID103857248
Molecular FormulaC11H13FINO3
Molecular Weight353.13 g/mol
Exact Mass352.99
IUPAC Name4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide
SMILESO=C(c1ccc(F)cc1I)N(CCO)CCO
InChIInChI=1S/C11H13FINO3/c12-8-1-2-9(10(13)7-8)11(17)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6H2
InChIKeyAMEZHSRUXGNPAE-UHFFFAOYSA-N
XLogP0.86
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.13
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)-2-iodobenzamide
CID 103863295
N,N-bis(cyanomethyl)-4-fluoro-2-iodobenzamide
CID 60612844
2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 60955626
2-[2-(dimethylamino)ethyl-(4-fluoro-2-iodobenzoyl)amino]acetic acid
CID 103802814
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
N-(2-aminoethyl)-N-benzyl-4-fluoro-2-iodobenzamide
CID 104859557
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61145588
2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122067
4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
CID 115776016
2-(3-aminoprop-1-ynyl)-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 61234146
2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide
CID 61233992

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide?
The IUPAC name of 4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide (CID 103857248) is 4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide.
What is the SMILES notation for 4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide?
The canonical SMILES for 4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide is O=C(c1ccc(F)cc1I)N(CCO)CCO.
What is the InChIKey of 4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide?
The InChIKey is AMEZHSRUXGNPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FINO3/c12-8-1-2-9(10(13)7-8)11(17)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6H2.
What are the key properties of 4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide?
4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide has a molecular weight of 353.13 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide is sourced from PubChem (CID 103857248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).