N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide

C14H8BrF4NO2 — CID 2558535

IUPACN-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESO=C(COc1c(F)c(F)cc(F)c1F)Nc1ccccc1Br
InChIInChI=1S/C14H8BrF4NO2/c15-7-3-1-2-4-10(7)20-11(21)6-22-14-12(18)8(16)5-9(17)13(14)19/h1-5H,6H2,(H,20,21)
InChIKeyRAPDDMOAUASTJT-UHFFFAOYSA-N
MW378.12 g/mol
LogP4.02
Rot. Bonds4

About N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide

N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide (PubChem CID 2558535) has the molecular formula C14H8BrF4NO2 and a molecular weight of 378.12 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
PubChem CID2558535
Molecular FormulaC14H8BrF4NO2
Molecular Weight378.12 g/mol
Exact Mass376.97
IUPAC NameN-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
SMILESO=C(COc1c(F)c(F)cc(F)c1F)Nc1ccccc1Br
InChIInChI=1S/C14H8BrF4NO2/c15-7-3-1-2-4-10(7)20-11(21)6-22-14-12(18)8(16)5-9(17)13(14)19/h1-5H,6H2,(H,20,21)
InChIKeyRAPDDMOAUASTJT-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.12
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

N-(2-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2558525
N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
CID 107171288
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide
CID 62368515
2-(2-bromo-4,6-dichlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 17095373
N-(2,6-diethylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 7467725
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842438
N-(2-bromophenyl)-2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]acetamide
CID 134064959
N-(2-bromophenyl)-2-(4-phenylphenoxy)acetamide
CID 1193865
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
CID 63052653
N-(2-bromophenyl)-2-[2-chloro-6-(hydroxymethyl)phenoxy]acetamide
CID 115956327
2-(4-acetyl-2-methoxyphenoxy)-N-(2-bromophenyl)acetamide
CID 26536729

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide (CID 2558535) is N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide is O=C(COc1c(F)c(F)cc(F)c1F)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
The InChIKey is RAPDDMOAUASTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF4NO2/c15-7-3-1-2-4-10(7)20-11(21)6-22-14-12(18)8(16)5-9(17)13(14)19/h1-5H,6H2,(H,20,21).
What are the key properties of N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide?
N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide has a molecular weight of 378.12 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 N-(2-bromophenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide is sourced from PubChem (CID 2558535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).