5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide

C14H9Br2ClFNO2 — CID 35206912

IUPAC5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C14H9Br2ClFNO2/c1-21-13-10(16)5-8(17)6-12(13)19-14(20)9-4-7(15)2-3-11(9)18/h2-6H,1H3,(H,19,20)
InChIKeyIYOKJXKGTXOIGE-UHFFFAOYSA-N
MW437.49 g/mol
LogP5.26
Rot. Bonds3

About 5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide

5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide (PubChem CID 35206912) has the molecular formula C14H9Br2ClFNO2 and a molecular weight of 437.49 g/mol. Its IUPAC name is 5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide
PubChem CID35206912
Molecular FormulaC14H9Br2ClFNO2
Molecular Weight437.49 g/mol
Exact Mass434.87
IUPAC Name5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C14H9Br2ClFNO2/c1-21-13-10(16)5-8(17)6-12(13)19-14(20)9-4-7(15)2-3-11(9)18/h2-6H,1H3,(H,19,20)
InChIKeyIYOKJXKGTXOIGE-UHFFFAOYSA-N
XLogP5.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.49
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-2-fluorobenzamide
CID 30804369
4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide
CID 63187979
2-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylbenzamide
CID 103853019
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide
CID 107951917
N-(2-amino-5-chlorophenyl)-5-bromo-2-fluorobenzamide
CID 24699699
5-bromo-2-fluoro-N-(2,4,5-trichlorophenyl)benzamide
CID 28547728
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
3,5-dibromo-N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 17111223
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
3-bromo-5-chloro-N-(4-chlorophenyl)-2-methoxybenzamide
CID 67556921
N-(5-bromo-2-methoxyphenyl)-2,5-difluorobenzamide
CID 61074380
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 107518279

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide (CID 35206912) is 5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide is COc1c(Br)cc(Cl)cc1NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide?
The InChIKey is IYOKJXKGTXOIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClFNO2/c1-21-13-10(16)5-8(17)6-12(13)19-14(20)9-4-7(15)2-3-11(9)18/h2-6H,1H3,(H,19,20).
What are the key properties of 5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide?
5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide has a molecular weight of 437.49 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide is sourced from PubChem (CID 35206912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).