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

C12H16FIN2O — CID 79769175

IUPACN,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide
SMILESCCN(CC)C(=O)CNc1ccc(F)cc1I
InChIInChI=1S/C12H16FIN2O/c1-3-16(4-2)12(17)8-15-11-6-5-9(13)7-10(11)14/h5-7,15H,3-4,8H2,1-2H3
InChIKeyPSBRJSVDURVUJT-UHFFFAOYSA-N
MW350.18 g/mol
LogP2.71
Rot. Bonds5

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

N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide (PubChem CID 79769175) has the molecular formula C12H16FIN2O and a molecular weight of 350.18 g/mol. Its IUPAC name is N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide
PubChem CID79769175
Molecular FormulaC12H16FIN2O
Molecular Weight350.18 g/mol
Exact Mass350.03
IUPAC NameN,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide
SMILESCCN(CC)C(=O)CNc1ccc(F)cc1I
InChIInChI=1S/C12H16FIN2O/c1-3-16(4-2)12(17)8-15-11-6-5-9(13)7-10(11)14/h5-7,15H,3-4,8H2,1-2H3
InChIKeyPSBRJSVDURVUJT-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 52.71
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,N-diethyl-2-(4-fluoro-2-nitroanilino)acetamide
CID 115593557
2-(4-fluoro-2-iodoanilino)acetic acid
CID 79769086
2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide
CID 79769575
N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide
CID 134031279
3-(4-fluoro-2-iodoanilino)-2,2-dimethylpropanoic acid
CID 79768427
2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79768847
4-fluoro-2-iodo-N-(2-methylbutyl)aniline
CID 79769161
N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline
CID 79769670
N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide
CID 79768515
N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-2-hydroxybenzamide
CID 115681928
N,N-diethyl-2-[(4-fluorophenyl)methylamino]acetamide
CID 28581599
N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide
CID 79768829

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide?
The IUPAC name of N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide (CID 79769175) is N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide?
The canonical SMILES for N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide is CCN(CC)C(=O)CNc1ccc(F)cc1I.
What is the InChIKey of N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide?
The InChIKey is PSBRJSVDURVUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FIN2O/c1-3-16(4-2)12(17)8-15-11-6-5-9(13)7-10(11)14/h5-7,15H,3-4,8H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide?
N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide has a molecular weight of 350.18 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide is sourced from PubChem (CID 79769175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).