N-(4-chloro-2-fluoro-3-formylphenyl)acetamide

C9H7ClFNO2 — CID 84784262

IUPACN-(4-chloro-2-fluoro-3-formylphenyl)acetamide
SMILESCC(=O)Nc1ccc(Cl)c(C=O)c1F
InChIInChI=1S/C9H7ClFNO2/c1-5(14)12-8-3-2-7(10)6(4-13)9(8)11/h2-4H,1H3,(H,12,14)
InChIKeyDHHJTLUXQCFVND-UHFFFAOYSA-N
MW215.61 g/mol
LogP2.25
Rot. Bonds2

About N-(4-chloro-2-fluoro-3-formylphenyl)acetamide

N-(4-chloro-2-fluoro-3-formylphenyl)acetamide (PubChem CID 84784262) has the molecular formula C9H7ClFNO2 and a molecular weight of 215.61 g/mol. Its IUPAC name is N-(4-chloro-2-fluoro-3-formylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluoro-3-formylphenyl)acetamide
PubChem CID84784262
Molecular FormulaC9H7ClFNO2
Molecular Weight215.61 g/mol
Exact Mass215.01
IUPAC NameN-(4-chloro-2-fluoro-3-formylphenyl)acetamide
SMILESCC(=O)Nc1ccc(Cl)c(C=O)c1F
InChIInChI=1S/C9H7ClFNO2/c1-5(14)12-8-3-2-7(10)6(4-13)9(8)11/h2-4H,1H3,(H,12,14)
InChIKeyDHHJTLUXQCFVND-UHFFFAOYSA-N
XLogP2.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluoro-3-formylphenyl)acetamide?
The IUPAC name of N-(4-chloro-2-fluoro-3-formylphenyl)acetamide (CID 84784262) is N-(4-chloro-2-fluoro-3-formylphenyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluoro-3-formylphenyl)acetamide?
The canonical SMILES for N-(4-chloro-2-fluoro-3-formylphenyl)acetamide is CC(=O)Nc1ccc(Cl)c(C=O)c1F.
What is the InChIKey of N-(4-chloro-2-fluoro-3-formylphenyl)acetamide?
The InChIKey is DHHJTLUXQCFVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO2/c1-5(14)12-8-3-2-7(10)6(4-13)9(8)11/h2-4H,1H3,(H,12,14).
What are the key properties of N-(4-chloro-2-fluoro-3-formylphenyl)acetamide?
N-(4-chloro-2-fluoro-3-formylphenyl)acetamide has a molecular weight of 215.61 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluoro-3-formylphenyl)acetamide is sourced from PubChem (CID 84784262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).