2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide

C13H7BrCl2FNO2 — CID 103891179

IUPAC2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)c1c(F)cccc1Br
InChIInChI=1S/C13H7BrCl2FNO2/c14-7-2-1-3-9(17)11(7)13(20)18-10-5-6(15)4-8(16)12(10)19/h1-5,19H,(H,18,20)
InChIKeyCNNYTDDQIBLRIP-UHFFFAOYSA-N
MW379.01 g/mol
LogP4.85
Rot. Bonds2

About 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide

2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide (PubChem CID 103891179) has the molecular formula C13H7BrCl2FNO2 and a molecular weight of 379.01 g/mol. Its IUPAC name is 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide
PubChem CID103891179
Molecular FormulaC13H7BrCl2FNO2
Molecular Weight379.01 g/mol
Exact Mass376.90
IUPAC Name2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)c1c(F)cccc1Br
InChIInChI=1S/C13H7BrCl2FNO2/c14-7-2-1-3-9(17)11(7)13(20)18-10-5-6(15)4-8(16)12(10)19/h1-5,19H,(H,18,20)
InChIKeyCNNYTDDQIBLRIP-UHFFFAOYSA-N
XLogP4.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.01
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide
CID 115678082
4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 114558539
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640
2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055
N-(2-bromo-4-chlorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107015030
1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea
CID 21184650
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 114558352
2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide
CID 21431939
2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 103891166
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide
CID 104625899
2-bromo-6-fluoro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115687168

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide (CID 103891179) is 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide is O=C(Nc1cc(Cl)cc(Cl)c1O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide?
The InChIKey is CNNYTDDQIBLRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2FNO2/c14-7-2-1-3-9(17)11(7)13(20)18-10-5-6(15)4-8(16)12(10)19/h1-5,19H,(H,18,20).
What are the key properties of 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide?
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide has a molecular weight of 379.01 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide is sourced from PubChem (CID 103891179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).