2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone

C14H10BrF2NO — CID 106943998

IUPAC2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone
SMILESO=C(CNc1ccccc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10BrF2NO/c15-10-6-7-11(16)13(14(10)17)12(19)8-18-9-4-2-1-3-5-9/h1-7,18H,8H2
InChIKeyLKJOKOJAAXABKW-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.02
Rot. Bonds4

About 2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone

2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone (PubChem CID 106943998) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is 2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone
PubChem CID106943998
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone
SMILESO=C(CNc1ccccc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10BrF2NO/c15-10-6-7-11(16)13(14(10)17)12(19)8-18-9-4-2-1-3-5-9/h1-7,18H,8H2
InChIKeyLKJOKOJAAXABKW-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-2,6-difluorophenyl)-phenylmethanone
CID 106941652
1-(3-bromo-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-one
CID 106941670
1-(3-bromo-2,6-difluorophenyl)-2-pyridin-2-ylethanone
CID 106941653
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
1-(3-amino-4-fluorophenyl)-2-anilinoethanone
CID 82478373
3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
[2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone
CID 106944059
1-(3-bromo-2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 106944374
1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 106941686
2-anilino-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 60703391
2-anilino-N-(3,4,5-trifluorophenyl)acetamide
CID 62811643
1-(3-bromo-2-chloro-6-fluorophenyl)-2-(methylamino)ethanone
CID 117450497

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone?
The IUPAC name of 2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone (CID 106943998) is 2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone.
What is the SMILES notation for 2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone?
The canonical SMILES for 2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone is O=C(CNc1ccccc1)c1c(F)ccc(Br)c1F.
What is the InChIKey of 2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone?
The InChIKey is LKJOKOJAAXABKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c15-10-6-7-11(16)13(14(10)17)12(19)8-18-9-4-2-1-3-5-9/h1-7,18H,8H2.
What are the key properties of 2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone?
2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone has a molecular weight of 326.14 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone is sourced from PubChem (CID 106943998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).