N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide

C11H11F3INO2 — CID 104627951

IUPACN-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C11H11F3INO2/c1-2-16(6-11(12,13)14)10(18)7-3-4-8(15)9(17)5-7/h3-5,17H,2,6H2,1H3
InChIKeyPMOGSUJCEQALHQ-UHFFFAOYSA-N
MW373.11 g/mol
LogP3.02
Rot. Bonds3

About N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide

N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 104627951) has the molecular formula C11H11F3INO2 and a molecular weight of 373.11 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID104627951
Molecular FormulaC11H11F3INO2
Molecular Weight373.11 g/mol
Exact Mass372.98
IUPAC NameN-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C11H11F3INO2/c1-2-16(6-11(12,13)14)10(18)7-3-4-8(15)9(17)5-7/h3-5,17H,2,6H2,1H3
InChIKeyPMOGSUJCEQALHQ-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-ethyl-3-hydroxy-4-iodo-N-prop-2-ynylbenzamide
CID 104627858
N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 103614051
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide
CID 104627791
4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 161395322
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
3,4-dihydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103957675
N-ethyl-3-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63213833
4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103956777
N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858694
4-carbamothioyl-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009098
N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide
CID 104627675

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide (CID 104627951) is N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC(F)(F)F)C(=O)c1ccc(I)c(O)c1.
What is the InChIKey of N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is PMOGSUJCEQALHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3INO2/c1-2-16(6-11(12,13)14)10(18)7-3-4-8(15)9(17)5-7/h3-5,17H,2,6H2,1H3.
What are the key properties of N-ethyl-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide?
N-ethyl-3-hydroxy-4-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-3-hydroxy-4-iodo-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 104627951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).