5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide

C15H12BrClFNO3 — CID 30804369

IUPAC5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide
SMILESCOc1cc(Cl)c(NC(=O)c2cc(Br)ccc2F)cc1OC
InChIInChI=1S/C15H12BrClFNO3/c1-21-13-6-10(17)12(7-14(13)22-2)19-15(20)9-5-8(16)3-4-11(9)18/h3-7H,1-2H3,(H,19,20)
InChIKeyJUJIGZRVNBRUEB-UHFFFAOYSA-N
MW388.62 g/mol
LogP4.51
Rot. Bonds4

About 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide

5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide (PubChem CID 30804369) has the molecular formula C15H12BrClFNO3 and a molecular weight of 388.62 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide
PubChem CID30804369
Molecular FormulaC15H12BrClFNO3
Molecular Weight388.62 g/mol
Exact Mass386.97
IUPAC Name5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide
SMILESCOc1cc(Cl)c(NC(=O)c2cc(Br)ccc2F)cc1OC
InChIInChI=1S/C15H12BrClFNO3/c1-21-13-6-10(17)12(7-14(13)22-2)19-15(20)9-5-8(16)3-4-11(9)18/h3-7H,1-2H3,(H,19,20)
InChIKeyJUJIGZRVNBRUEB-UHFFFAOYSA-N
XLogP4.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.62
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 18139978
5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide
CID 28547728
5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 35206912
N-(5-bromo-2-methoxyphenyl)-2,5-difluorobenzamide
CID 61074380
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 62515870
5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103414514
5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 62954749
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide
CID 80974125
2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 103754076
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide (CID 30804369) is 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide is COc1cc(Cl)c(NC(=O)c2cc(Br)ccc2F)cc1OC.
What is the InChIKey of 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide?
The InChIKey is JUJIGZRVNBRUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO3/c1-21-13-6-10(17)12(7-14(13)22-2)19-15(20)9-5-8(16)3-4-11(9)18/h3-7H,1-2H3,(H,19,20).
What are the key properties of 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide?
5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide has a molecular weight of 388.62 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide is sourced from PubChem (CID 30804369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).