N-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide

C10H8BrF2NO2 — CID 175810346

IUPACN-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide
SMILESCC(=O)NC(=O)Cc1cc(F)c(Br)c(F)c1
InChIInChI=1S/C10H8BrF2NO2/c1-5(15)14-9(16)4-6-2-7(12)10(11)8(13)3-6/h2-3H,4H2,1H3,(H,14,15,16)
InChIKeyYBHBJKAJISPZMA-UHFFFAOYSA-N
MW292.08 g/mol
LogP1.93
Rot. Bonds2

About N-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide

N-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide (PubChem CID 175810346) has the molecular formula C10H8BrF2NO2 and a molecular weight of 292.08 g/mol. Its IUPAC name is N-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide
PubChem CID175810346
Molecular FormulaC10H8BrF2NO2
Molecular Weight292.08 g/mol
Exact Mass290.97
IUPAC NameN-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide
SMILESCC(=O)NC(=O)Cc1cc(F)c(Br)c(F)c1
InChIInChI=1S/C10H8BrF2NO2/c1-5(15)14-9(16)4-6-2-7(12)10(11)8(13)3-6/h2-3H,4H2,1H3,(H,14,15,16)
InChIKeyYBHBJKAJISPZMA-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide?
The IUPAC name of N-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide (CID 175810346) is N-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide?
The canonical SMILES for N-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide is CC(=O)NC(=O)Cc1cc(F)c(Br)c(F)c1.
What is the InChIKey of N-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide?
The InChIKey is YBHBJKAJISPZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2NO2/c1-5(15)14-9(16)4-6-2-7(12)10(11)8(13)3-6/h2-3H,4H2,1H3,(H,14,15,16).
What are the key properties of N-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide?
N-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide has a molecular weight of 292.08 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-(4-bromo-3,5-difluorophenyl)acetamide is sourced from PubChem (CID 175810346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).