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

C11H11F3INO2 — CID 113226775

IUPAC2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCN(CCC(F)(F)F)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C11H11F3INO2/c1-16(5-4-11(12,13)14)10(18)8-6-7(15)2-3-9(8)17/h2-3,6,17H,4-5H2,1H3
InChIKeyFUQXAFNQHOQJAY-UHFFFAOYSA-N
MW373.11 g/mol
LogP3.02
Rot. Bonds3

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

2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 113226775) has the molecular formula C11H11F3INO2 and a molecular weight of 373.11 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID113226775
Molecular FormulaC11H11F3INO2
Molecular Weight373.11 g/mol
Exact Mass372.98
IUPAC Name2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCN(CCC(F)(F)F)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C11H11F3INO2/c1-16(5-4-11(12,13)14)10(18)8-6-7(15)2-3-9(8)17/h2-3,6,17H,4-5H2,1H3
InChIKeyFUQXAFNQHOQJAY-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

N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732592
2-hydroxy-5-iodo-N-methyl-N-(3-methylbutyl)benzamide
CID 103612713
N-(5-bromopentyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732751
N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 103614051
2-hydroxy-5-iodo-N-(3,3,3-trifluoropropyl)benzamide
CID 103713631
2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 61381239
2-hydroxy-5-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 113246125
2-hydroxy-5-iodo-N,N-dipropylbenzamide
CID 103602027
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387
2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid
CID 107731336
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 78987855

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide (CID 113226775) is 2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide is CN(CCC(F)(F)F)C(=O)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is FUQXAFNQHOQJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3INO2/c1-16(5-4-11(12,13)14)10(18)8-6-7(15)2-3-9(8)17/h2-3,6,17H,4-5H2,1H3.
What are the key properties of 2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)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 2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 113226775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).