N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide

C11H11F3INO2 — CID 103614051

IUPACN-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C11H11F3INO2/c1-2-16(6-11(12,13)14)10(18)8-5-7(15)3-4-9(8)17/h3-5,17H,2,6H2,1H3
InChIKeyDLGDQEFOELBXOD-UHFFFAOYSA-N
MW373.11 g/mol
LogP3.02
Rot. Bonds3

About N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide

N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 103614051) has the molecular formula C11H11F3INO2 and a molecular weight of 373.11 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID103614051
Molecular FormulaC11H11F3INO2
Molecular Weight373.11 g/mol
Exact Mass372.98
IUPAC NameN-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C11H11F3INO2/c1-2-16(6-11(12,13)14)10(18)8-5-7(15)3-4-9(8)17/h3-5,17H,2,6H2,1H3
InChIKeyDLGDQEFOELBXOD-UHFFFAOYSA-N
XLogP3.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.11
LogP ≤ 53.02
H-Bond Donors ≤ 51
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,N-dipropylbenzamide
CID 103602027
N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 103873674
2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 113226775
N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 104627951
2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid
CID 107731336
N-ethyl-2-hydroxy-5-iodo-N-(piperidin-2-ylmethyl)benzamide
CID 107732253
2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide
CID 103713631
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 107732147
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78865711
2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103526844
N-(2-aminoethyl)-5-fluoro-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107493495
N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732592

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide (CID 103614051) is N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC(F)(F)F)C(=O)c1cc(I)ccc1O.
What is the InChIKey of N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is DLGDQEFOELBXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3INO2/c1-2-16(6-11(12,13)14)10(18)8-5-7(15)3-4-9(8)17/h3-5,17H,2,6H2,1H3.
What are the key properties of N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide?
N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 373.11 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 103614051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).