N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide

C13H7Br2F2NO2 — CID 25224306

IUPACN-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide
SMILESO=C(Nc1cc(Br)c(O)c(Br)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H7Br2F2NO2/c14-10-4-9(5-11(15)12(10)19)18-13(20)6-1-7(16)3-8(17)2-6/h1-5,19H,(H,18,20)
InChIKeyVGJPWAZNELOPNH-UHFFFAOYSA-N
MW407.01 g/mol
LogP4.45
Rot. Bonds2

About N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide

N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide (PubChem CID 25224306) has the molecular formula C13H7Br2F2NO2 and a molecular weight of 407.01 g/mol. Its IUPAC name is N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide
PubChem CID25224306
Molecular FormulaC13H7Br2F2NO2
Molecular Weight407.01 g/mol
Exact Mass404.88
IUPAC NameN-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide
SMILESO=C(Nc1cc(Br)c(O)c(Br)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H7Br2F2NO2/c14-10-4-9(5-11(15)12(10)19)18-13(20)6-1-7(16)3-8(17)2-6/h1-5,19H,(H,18,20)
InChIKeyVGJPWAZNELOPNH-UHFFFAOYSA-N
XLogP4.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.01
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035
3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 169122474
N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
CID 25222880
N-(3-bromophenyl)-3,5-difluorobenzamide
CID 3660841
3,5-diamino-N-(3,5-difluorophenyl)benzamide
CID 61091904
3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 114025876
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
3,5-difluoro-N-(4-iodophenyl)benzamide
CID 3874548
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide
CID 39642819
N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 112695627
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide?
The IUPAC name of N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide (CID 25224306) is N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide?
The canonical SMILES for N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide is O=C(Nc1cc(Br)c(O)c(Br)c1)c1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide?
The InChIKey is VGJPWAZNELOPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2F2NO2/c14-10-4-9(5-11(15)12(10)19)18-13(20)6-1-7(16)3-8(17)2-6/h1-5,19H,(H,18,20).
What are the key properties of N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide?
N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide has a molecular weight of 407.01 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide is sourced from PubChem (CID 25224306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).