2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide

C10H9F4IN2O — CID 79768847

IUPAC2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1ccc(F)cc1I)NCC(F)(F)F
InChIInChI=1S/C10H9F4IN2O/c11-6-1-2-8(7(15)3-6)16-4-9(18)17-5-10(12,13)14/h1-3,16H,4-5H2,(H,17,18)
InChIKeyRXBRNSWRLOPHCA-UHFFFAOYSA-N
MW376.09 g/mol
LogP2.52
Rot. Bonds4

About 2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 79768847) has the molecular formula C10H9F4IN2O and a molecular weight of 376.09 g/mol. Its IUPAC name is 2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID79768847
Molecular FormulaC10H9F4IN2O
Molecular Weight376.09 g/mol
Exact Mass375.97
IUPAC Name2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1ccc(F)cc1I)NCC(F)(F)F
InChIInChI=1S/C10H9F4IN2O/c11-6-1-2-8(7(15)3-6)16-4-9(18)17-5-10(12,13)14/h1-3,16H,4-5H2,(H,17,18)
InChIKeyRXBRNSWRLOPHCA-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

2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60652978
4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline
CID 79769171
2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide
CID 79769575
N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79766531
2-(4-fluoro-2-iodoanilino)acetic acid
CID 79769086
2-(4-bromo-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688294
4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide
CID 79766480
3-(4-fluoro-2-iodoanilino)-2,2-dimethylpropanoic acid
CID 79768427
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 63036661
N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide
CID 79768515
2-(4-bromo-2-chloroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60690990
N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide
CID 79769175

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 79768847) is 2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNc1ccc(F)cc1I)NCC(F)(F)F.
What is the InChIKey of 2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RXBRNSWRLOPHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4IN2O/c11-6-1-2-8(7(15)3-6)16-4-9(18)17-5-10(12,13)14/h1-3,16H,4-5H2,(H,17,18).
What are the key properties of 2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)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 2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 79768847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).