3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide

C13H8BrClFNO2 — CID 63935702

IUPAC3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H8BrClFNO2/c14-8-3-7(4-9(16)5-8)13(19)17-10-1-2-12(18)11(15)6-10/h1-6,18H,(H,17,19)
InChIKeyQVRGZOUCWSJWQS-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.20
Rot. Bonds2

About 3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide

3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide (PubChem CID 63935702) has the molecular formula C13H8BrClFNO2 and a molecular weight of 344.57 g/mol. Its IUPAC name is 3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide
PubChem CID63935702
Molecular FormulaC13H8BrClFNO2
Molecular Weight344.57 g/mol
Exact Mass342.94
IUPAC Name3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H8BrClFNO2/c14-8-3-7(4-9(16)5-8)13(19)17-10-1-2-12(18)11(15)6-10/h1-6,18H,(H,17,19)
InChIKeyQVRGZOUCWSJWQS-UHFFFAOYSA-N
XLogP4.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.20
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-chloro-4-hydroxyphenyl)benzamide
CID 107972808
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 107980248
N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide
CID 107971082
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
4-bromo-2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 63935703
3-bromo-5-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221441
3-bromo-N-[4-(dimethylamino)-3-methylphenyl]-5-fluorobenzamide
CID 55713089
3,5-dibromo-N-(3,5-difluorophenyl)benzamide
CID 107980035
3-chloro-N-(3-chloro-5-fluorophenyl)-4-hydroxybenzamide
CID 107366859
N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide
CID 60572464
3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107953792

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide (CID 63935702) is 3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide is O=C(Nc1ccc(O)c(Cl)c1)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide?
The InChIKey is QVRGZOUCWSJWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO2/c14-8-3-7(4-9(16)5-8)13(19)17-10-1-2-12(18)11(15)6-10/h1-6,18H,(H,17,19).
What are the key properties of 3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide?
3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide has a molecular weight of 344.57 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide is sourced from PubChem (CID 63935702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).