2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide

C14H10BrClFNO2 — CID 9191956

IUPAC2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-5-2-8(16)6-12(13)18-14(19)10-4-3-9(17)7-11(10)15/h2-7H,1H3,(H,18,19)
InChIKeyUURKSQRAFYRJCI-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.50
Rot. Bonds3

About 2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide

2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide (PubChem CID 9191956) has the molecular formula C14H10BrClFNO2 and a molecular weight of 358.59 g/mol. Its IUPAC name is 2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
PubChem CID9191956
Molecular FormulaC14H10BrClFNO2
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC Name2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-5-2-8(16)6-12(13)18-14(19)10-4-3-9(17)7-11(10)15/h2-7H,1H3,(H,18,19)
InChIKeyUURKSQRAFYRJCI-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.59
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 103763825
2-bromo-N-(5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 55821778
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
CID 9192644
2-bromo-4-fluoro-N-(2-methoxy-5-nitrophenyl)benzamide
CID 16797089
2-bromo-N-(2,4-dichlorophenyl)-4-fluorobenzamide
CID 27666994
N-(5-bromo-2-methoxyphenyl)-2,5-difluorobenzamide
CID 61074380
N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide
CID 47317531
2-bromo-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114839990
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
4-chloro-N-(5-chloro-2-methoxyphenyl)-2-hydroxybenzamide
CID 29286691
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide (CID 9191956) is 2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide is COc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide?
The InChIKey is UURKSQRAFYRJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO2/c1-20-13-5-2-8(16)6-12(13)18-14(19)10-4-3-9(17)7-11(10)15/h2-7H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide?
2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide has a molecular weight of 358.59 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 9191956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).