N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H9F4IN2O — CID 79766531

IUPACN-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ccc(F)cc1I
InChIInChI=1S/C10H9F4IN2O/c11-6-1-2-8(7(15)3-6)17-9(18)4-16-5-10(12,13)14/h1-3,16H,4-5H2,(H,17,18)
InChIKeyHJVRRKVKCYCMDL-UHFFFAOYSA-N
MW376.09 g/mol
LogP2.52
Rot. Bonds4

About N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79766531) has the molecular formula C10H9F4IN2O and a molecular weight of 376.09 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79766531
Molecular FormulaC10H9F4IN2O
Molecular Weight376.09 g/mol
Exact Mass375.97
IUPAC NameN-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ccc(F)cc1I
InChIInChI=1S/C10H9F4IN2O/c11-6-1-2-8(7(15)3-6)17-9(18)4-16-5-10(12,13)14/h1-3,16H,4-5H2,(H,17,18)
InChIKeyHJVRRKVKCYCMDL-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 52.52
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

4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide
CID 79766480
N-(4-fluoro-2-iodophenyl)-2-(prop-2-ynylamino)acetamide
CID 79767023
N-(2-ethoxy-4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957990
2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79768847
4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline
CID 79769171
N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide
CID 79771427
N-(3,5-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958059
N-(2-bromo-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914907
4-fluoro-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzoic acid
CID 79260480
N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
CID 79766482
N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide
CID 79766038
N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914656

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79766531) is N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1ccc(F)cc1I.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is HJVRRKVKCYCMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4IN2O/c11-6-1-2-8(7(15)3-6)17-9(18)4-16-5-10(12,13)14/h1-3,16H,4-5H2,(H,17,18).
What are the key properties of N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 376.09 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79766531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).