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

C10H9FN2O — CID 88856199

IUPACN-(2-fluoro-4-isocyano-3-methylphenyl)acetamide
SMILES[C-]#[N+]c1ccc(NC(C)=O)c(F)c1C
InChIInChI=1S/C10H9FN2O/c1-6-8(12-3)4-5-9(10(6)11)13-7(2)14/h4-5H,1-2H3,(H,13,14)
InChIKeyGNBOIHMJVGGYEO-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.64
Rot. Bonds1

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

N-(2-fluoro-4-isocyano-3-methylphenyl)acetamide (PubChem CID 88856199) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is N-(2-fluoro-4-isocyano-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-isocyano-3-methylphenyl)acetamide
PubChem CID88856199
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC NameN-(2-fluoro-4-isocyano-3-methylphenyl)acetamide
SMILES[C-]#[N+]c1ccc(NC(C)=O)c(F)c1C
InChIInChI=1S/C10H9FN2O/c1-6-8(12-3)4-5-9(10(6)11)13-7(2)14/h4-5H,1-2H3,(H,13,14)
InChIKeyGNBOIHMJVGGYEO-UHFFFAOYSA-N
XLogP2.64
TPSA33.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-4-iodo-3-methylphenyl)acetamide
CID 166153622
3-fluoro-1-isocyano-2,4-dimethylbenzene
CID 123462795
N-(3,4-difluoro-2-methylphenyl)acetamide
CID 15692403
ethane;N-(2-fluoro-3-methylphenyl)acetamide
CID 145070564
N-[2,4-difluoro-3-(hydroxymethyl)phenyl]acetamide
CID 67281170
N-(3,4-dibromo-2-methylphenyl)acetamide
CID 131862600
methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate
CID 175755626
N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide
CID 168959540
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555
N-(4-bromo-2-fluoro-3-formylphenyl)acetamide
CID 88931176
N-(3,4-difluoro-2-trimethylsilylphenyl)acetamide
CID 101479656
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-isocyano-3-methylphenyl)acetamide?
The IUPAC name of N-(2-fluoro-4-isocyano-3-methylphenyl)acetamide (CID 88856199) is N-(2-fluoro-4-isocyano-3-methylphenyl)acetamide.
What is the SMILES notation for N-(2-fluoro-4-isocyano-3-methylphenyl)acetamide?
The canonical SMILES for N-(2-fluoro-4-isocyano-3-methylphenyl)acetamide is [C-]#[N+]c1ccc(NC(C)=O)c(F)c1C.
What is the InChIKey of N-(2-fluoro-4-isocyano-3-methylphenyl)acetamide?
The InChIKey is GNBOIHMJVGGYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-6-8(12-3)4-5-9(10(6)11)13-7(2)14/h4-5H,1-2H3,(H,13,14).
What are the key properties of N-(2-fluoro-4-isocyano-3-methylphenyl)acetamide?
N-(2-fluoro-4-isocyano-3-methylphenyl)acetamide has a molecular weight of 192.19 g/mol, XLogP of 2.64, 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-isocyano-3-methylphenyl)acetamide is sourced from PubChem (CID 88856199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).