3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide

C13H7Br2Cl2NO3 — CID 169122474

IUPAC3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C13H7Br2Cl2NO3/c14-7-1-5(2-8(15)11(7)19)13(21)18-6-3-9(16)12(20)10(17)4-6/h1-4,19-20H,(H,18,21)
InChIKeyUBIAPLSCTPSLQJ-UHFFFAOYSA-N
MW455.92 g/mol
LogP5.18
Rot. Bonds2

About 3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide

3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide (PubChem CID 169122474) has the molecular formula C13H7Br2Cl2NO3 and a molecular weight of 455.92 g/mol. Its IUPAC name is 3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide
PubChem CID169122474
Molecular FormulaC13H7Br2Cl2NO3
Molecular Weight455.92 g/mol
Exact Mass452.82
IUPAC Name3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C13H7Br2Cl2NO3/c14-7-1-5(2-8(15)11(7)19)13(21)18-6-3-9(16)12(20)10(17)4-6/h1-4,19-20H,(H,18,21)
InChIKeyUBIAPLSCTPSLQJ-UHFFFAOYSA-N
XLogP5.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.92
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-4-hydroxyphenyl)-3,4,5-trifluorobenzamide
CID 82881371
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 5119664
N-(3,5-dibromo-4-hydroxyphenyl)-3,5-difluorobenzamide
CID 25224306
3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide
CID 5119267
N-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxypyridine-3-carboxamide
CID 82884651
4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 107679537
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 82885015
N-(3,5-dibromo-4-hydroxyphenyl)-4-(trifluoromethyl)benzamide
CID 25222880
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 2994955
N-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82885113

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide?
The IUPAC name of 3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide (CID 169122474) is 3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide?
The canonical SMILES for 3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide?
The InChIKey is UBIAPLSCTPSLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2Cl2NO3/c14-7-1-5(2-8(15)11(7)19)13(21)18-6-3-9(16)12(20)10(17)4-6/h1-4,19-20H,(H,18,21).
What are the key properties of 3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide?
3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide has a molecular weight of 455.92 g/mol, XLogP of 5.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybenzamide is sourced from PubChem (CID 169122474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).