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

C14H10Br2FNO2 — CID 47317753

IUPAC3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H10Br2FNO2/c1-20-13-3-2-9(15)7-12(13)18-14(19)8-4-10(16)6-11(17)5-8/h2-7H,1H3,(H,18,19)
InChIKeyVDYFKJZILBFKLZ-UHFFFAOYSA-N
MW403.05 g/mol
LogP4.61
Rot. Bonds3

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

3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide (PubChem CID 47317753) has the molecular formula C14H10Br2FNO2 and a molecular weight of 403.05 g/mol. Its IUPAC name is 3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide
PubChem CID47317753
Molecular FormulaC14H10Br2FNO2
Molecular Weight403.05 g/mol
Exact Mass400.91
IUPAC Name3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H10Br2FNO2/c1-20-13-3-2-9(15)7-12(13)18-14(19)8-4-10(16)6-11(17)5-8/h2-7H,1H3,(H,18,19)
InChIKeyVDYFKJZILBFKLZ-UHFFFAOYSA-N
XLogP4.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.05
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(5-bromo-2-methoxyphenyl)-3,5-difluorobenzamide
CID 63185721
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide
CID 62680442
N-(5-amino-2-methoxyphenyl)-3,5-dibromobenzamide
CID 107970875
N-(5-bromo-2-methoxyphenyl)-2,5-difluorobenzamide
CID 61074380
N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide
CID 47317531
3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 110426879
N-(5-bromo-2-methoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298790
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 55905383
2-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 103754801
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
CID 47317659

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide (CID 47317753) is 3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide is COc1ccc(Br)cc1NC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide?
The InChIKey is VDYFKJZILBFKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FNO2/c1-20-13-3-2-9(15)7-12(13)18-14(19)8-4-10(16)6-11(17)5-8/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide?
3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide has a molecular weight of 403.05 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide is sourced from PubChem (CID 47317753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).