N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide

C8H6ClFN2O3 — CID 2773811

IUPACN-(5-chloro-4-fluoro-2-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc(Cl)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H6ClFN2O3/c1-4(13)11-7-2-5(9)6(10)3-8(7)12(14)15/h2-3H,1H3,(H,11,13)
InChIKeyPFFDKLGOPDBQQD-UHFFFAOYSA-N
MW232.60 g/mol
LogP2.35
Rot. Bonds2

About N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide

N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide (PubChem CID 2773811) has the molecular formula C8H6ClFN2O3 and a molecular weight of 232.60 g/mol. Its IUPAC name is N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-fluoro-2-nitrophenyl)acetamide
PubChem CID2773811
Molecular FormulaC8H6ClFN2O3
Molecular Weight232.60 g/mol
Exact Mass232.01
IUPAC NameN-(5-chloro-4-fluoro-2-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc(Cl)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H6ClFN2O3/c1-4(13)11-7-2-5(9)6(10)3-8(7)12(14)15/h2-3H,1H3,(H,11,13)
InChIKeyPFFDKLGOPDBQQD-UHFFFAOYSA-N
XLogP2.35
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.60
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide?
The IUPAC name of N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide (CID 2773811) is N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide.
What is the SMILES notation for N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide?
The canonical SMILES for N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide is CC(=O)Nc1cc(Cl)c(F)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide?
The InChIKey is PFFDKLGOPDBQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN2O3/c1-4(13)11-7-2-5(9)6(10)3-8(7)12(14)15/h2-3H,1H3,(H,11,13).
What are the key properties of N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide?
N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide has a molecular weight of 232.60 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide is sourced from PubChem (CID 2773811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).