N-(2-fluoro-4-iodo-3-methylphenyl)acetamide

C9H9FINO — CID 166153622

IUPACN-(2-fluoro-4-iodo-3-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(I)c(C)c1F
InChIInChI=1S/C9H9FINO/c1-5-7(11)3-4-8(9(5)10)12-6(2)13/h3-4H,1-2H3,(H,12,13)
InChIKeyLEBFNXFAGOKYAB-UHFFFAOYSA-N
MW293.08 g/mol
LogP2.70
Rot. Bonds1

About N-(2-fluoro-4-iodo-3-methylphenyl)acetamide

N-(2-fluoro-4-iodo-3-methylphenyl)acetamide (PubChem CID 166153622) has the molecular formula C9H9FINO and a molecular weight of 293.08 g/mol. Its IUPAC name is N-(2-fluoro-4-iodo-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-iodo-3-methylphenyl)acetamide
PubChem CID166153622
Molecular FormulaC9H9FINO
Molecular Weight293.08 g/mol
Exact Mass292.97
IUPAC NameN-(2-fluoro-4-iodo-3-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(I)c(C)c1F
InChIInChI=1S/C9H9FINO/c1-5-7(11)3-4-8(9(5)10)12-6(2)13/h3-4H,1-2H3,(H,12,13)
InChIKeyLEBFNXFAGOKYAB-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-4-isocyano-3-methylphenyl)acetamide
CID 88856199
N-(3,4-difluoro-2-methylphenyl)acetamide
CID 15692403
ethane;N-(2-fluoro-3-methylphenyl)acetamide
CID 145070564
N-(3-iodo-2,6-dimethylphenyl)acetamide
CID 4608715
1-chloro-2-fluoro-4-iodo-3-methylbenzene
CID 131011720
N-[2,4-difluoro-3-(hydroxymethyl)phenyl]acetamide
CID 67281170
N-(3,4-dibromo-2-methylphenyl)acetamide
CID 131862600
N-(3-fluoro-4-iodophenyl)acetamide
CID 22991944
N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide
CID 168959540
methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate
CID 175755626
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555
N-(4-bromo-2-fluoro-3-formylphenyl)acetamide
CID 88931176

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-iodo-3-methylphenyl)acetamide?
The IUPAC name of N-(2-fluoro-4-iodo-3-methylphenyl)acetamide (CID 166153622) is N-(2-fluoro-4-iodo-3-methylphenyl)acetamide.
What is the SMILES notation for N-(2-fluoro-4-iodo-3-methylphenyl)acetamide?
The canonical SMILES for N-(2-fluoro-4-iodo-3-methylphenyl)acetamide is CC(=O)Nc1ccc(I)c(C)c1F.
What is the InChIKey of N-(2-fluoro-4-iodo-3-methylphenyl)acetamide?
The InChIKey is LEBFNXFAGOKYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FINO/c1-5-7(11)3-4-8(9(5)10)12-6(2)13/h3-4H,1-2H3,(H,12,13).
What are the key properties of N-(2-fluoro-4-iodo-3-methylphenyl)acetamide?
N-(2-fluoro-4-iodo-3-methylphenyl)acetamide has a molecular weight of 293.08 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-iodo-3-methylphenyl)acetamide is sourced from PubChem (CID 166153622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).