2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide

C12H16FIN2O — CID 79769575

IUPAC2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(F)cc1I
InChIInChI=1S/C12H16FIN2O/c1-8(2)6-16-12(17)7-15-11-4-3-9(13)5-10(11)14/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyPPQIDLDJJYUXNC-UHFFFAOYSA-N
MW350.18 g/mol
LogP2.61
Rot. Bonds5

About 2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide

2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide (PubChem CID 79769575) has the molecular formula C12H16FIN2O and a molecular weight of 350.18 g/mol. Its IUPAC name is 2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide
PubChem CID79769575
Molecular FormulaC12H16FIN2O
Molecular Weight350.18 g/mol
Exact Mass350.03
IUPAC Name2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(F)cc1I
InChIInChI=1S/C12H16FIN2O/c1-8(2)6-16-12(17)7-15-11-4-3-9(13)5-10(11)14/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyPPQIDLDJJYUXNC-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 52.61
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-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide
CID 133284643
2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79768847
2-(4-fluoro-2-iodoanilino)acetic acid
CID 79769086
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200
2-(4-cyano-2-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 78916121
N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide
CID 79769175
N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide
CID 79768515
4-fluoro-2-iodo-N-(2-methylbutyl)aniline
CID 79769161
N'-(4-fluoro-2-iodophenyl)-2-methylpropane-1,3-diamine
CID 126985657
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)acetamide
CID 28573972
2-(2-ethylanilino)-N-(2-methylpropyl)acetamide
CID 28583341
3-(4-fluoro-2-iodoanilino)-2,2-dimethylpropanoic acid
CID 79768427

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide (CID 79769575) is 2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNc1ccc(F)cc1I.
What is the InChIKey of 2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is PPQIDLDJJYUXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FIN2O/c1-8(2)6-16-12(17)7-15-11-4-3-9(13)5-10(11)14/h3-5,8,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide?
2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 350.18 g/mol, XLogP of 2.61, 5 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-methylpropyl)acetamide is sourced from PubChem (CID 79769575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).