3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide

C13H8Br2ClNO2 — CID 107972808

IUPAC3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H8Br2ClNO2/c14-8-3-7(4-9(15)5-8)13(19)17-10-1-2-12(18)11(16)6-10/h1-6,18H,(H,17,19)
InChIKeyCEBRXHCACWQQLK-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.82
Rot. Bonds2

About 3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide

3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide (PubChem CID 107972808) has the molecular formula C13H8Br2ClNO2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide
PubChem CID107972808
Molecular FormulaC13H8Br2ClNO2
Molecular Weight405.47 g/mol
Exact Mass402.86
IUPAC Name3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H8Br2ClNO2/c14-8-3-7(4-9(15)5-8)13(19)17-10-1-2-12(18)11(16)6-10/h1-6,18H,(H,17,19)
InChIKeyCEBRXHCACWQQLK-UHFFFAOYSA-N
XLogP4.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.82
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-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide
CID 63935702
N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide
CID 107971082
3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 107980248
4-bromo-2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 63935703
3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
CID 107980537
3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide
CID 64788669
6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 113226989
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
CID 107937795
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide
CID 4636309
N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
CID 107971017
4-bromo-N-(3-bromo-4-hydroxyphenyl)benzamide
CID 3482679

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide (CID 107972808) is 3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide is O=C(Nc1ccc(O)c(Cl)c1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide?
The InChIKey is CEBRXHCACWQQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2ClNO2/c14-8-3-7(4-9(15)5-8)13(19)17-10-1-2-12(18)11(16)6-10/h1-6,18H,(H,17,19).
What are the key properties of 3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide?
3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide has a molecular weight of 405.47 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 107972808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).