2-(3-bromo-2,6-difluorophenyl)acetamide

C8H6BrF2NO — CID 131036088

IUPAC2-(3-bromo-2,6-difluorophenyl)acetamide
SMILESNC(=O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C8H6BrF2NO/c9-5-1-2-6(10)4(8(5)11)3-7(12)13/h1-2H,3H2,(H2,12,13)
InChIKeyPFFNSWADHVQRCY-UHFFFAOYSA-N
MW250.04 g/mol
LogP1.76
Rot. Bonds2

About 2-(3-bromo-2,6-difluorophenyl)acetamide

2-(3-bromo-2,6-difluorophenyl)acetamide (PubChem CID 131036088) has the molecular formula C8H6BrF2NO and a molecular weight of 250.04 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)acetamide
PubChem CID131036088
Molecular FormulaC8H6BrF2NO
Molecular Weight250.04 g/mol
Exact Mass248.96
IUPAC Name2-(3-bromo-2,6-difluorophenyl)acetamide
SMILESNC(=O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C8H6BrF2NO/c9-5-1-2-6(10)4(8(5)11)3-7(12)13/h1-2H,3H2,(H2,12,13)
InChIKeyPFFNSWADHVQRCY-UHFFFAOYSA-N
XLogP1.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(3-bromo-2,6-difluorophenyl)propan-2-one
CID 106272455
3-(3-bromo-2,6-difluorophenyl)-2-oxopropanoic acid
CID 130874083
3-(3-bromo-2,6-difluorophenyl)propanoic acid
CID 83402647
2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 106266017
2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone
CID 106265982
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone
CID 106265929
3-amino-1-(3-bromo-2,6-difluorophenyl)pentan-2-one
CID 106272652
1-(3-bromo-2,6-difluorophenyl)-3-(methylamino)propan-2-one
CID 106272492
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106266355
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
1-(1-aminocyclopentyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272523
1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272753

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)acetamide (CID 131036088) is 2-(3-bromo-2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)acetamide is NC(=O)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)acetamide?
The InChIKey is PFFNSWADHVQRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO/c9-5-1-2-6(10)4(8(5)11)3-7(12)13/h1-2H,3H2,(H2,12,13).
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)acetamide?
2-(3-bromo-2,6-difluorophenyl)acetamide has a molecular weight of 250.04 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)acetamide is sourced from PubChem (CID 131036088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).