N-(4-bromo-2,5-difluorophenyl)-2-(2-hydroxyphenyl)acetamide

C14H10BrF2NO2 — CID 107612366

IUPACN-(4-bromo-2,5-difluorophenyl)-2-(2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccccc1O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H10BrF2NO2/c15-9-6-11(17)12(7-10(9)16)18-14(20)5-8-3-1-2-4-13(8)19/h1-4,6-7,19H,5H2,(H,18,20)
InChIKeyIQPHVCGSYPLIJP-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.61
Rot. Bonds3

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

N-(4-bromo-2,5-difluorophenyl)-2-(2-hydroxyphenyl)acetamide (PubChem CID 107612366) has the molecular formula C14H10BrF2NO2 and a molecular weight of 342.14 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-2-(2-hydroxyphenyl)acetamide
PubChem CID107612366
Molecular FormulaC14H10BrF2NO2
Molecular Weight342.14 g/mol
Exact Mass340.99
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-2-(2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccccc1O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H10BrF2NO2/c15-9-6-11(17)12(7-10(9)16)18-14(20)5-8-3-1-2-4-13(8)19/h1-4,6-7,19H,5H2,(H,18,20)
InChIKeyIQPHVCGSYPLIJP-UHFFFAOYSA-N
XLogP3.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-2-(2-hydroxyphenyl)acetamide (CID 107612366) is N-(4-bromo-2,5-difluorophenyl)-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-2-(2-hydroxyphenyl)acetamide is O=C(Cc1ccccc1O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-2-(2-hydroxyphenyl)acetamide?
The InChIKey is IQPHVCGSYPLIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c15-9-6-11(17)12(7-10(9)16)18-14(20)5-8-3-1-2-4-13(8)19/h1-4,6-7,19H,5H2,(H,18,20).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-2-(2-hydroxyphenyl)acetamide?
N-(4-bromo-2,5-difluorophenyl)-2-(2-hydroxyphenyl)acetamide has a molecular weight of 342.14 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 107612366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).