3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide

C15H12Br2FNO2 — CID 106545841

IUPAC3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H12Br2FNO2/c1-8-6-9(16)7-12(21-2)14(8)19-15(20)10-4-3-5-11(17)13(10)18/h3-7H,1-2H3,(H,19,20)
InChIKeyGPVDHTSTWLIMHB-UHFFFAOYSA-N
MW417.07 g/mol
LogP4.92
Rot. Bonds3

About 3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide

3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide (PubChem CID 106545841) has the molecular formula C15H12Br2FNO2 and a molecular weight of 417.07 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide
PubChem CID106545841
Molecular FormulaC15H12Br2FNO2
Molecular Weight417.07 g/mol
Exact Mass414.92
IUPAC Name3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H12Br2FNO2/c1-8-6-9(16)7-12(21-2)14(8)19-15(20)10-4-3-5-11(17)13(10)18/h3-7H,1-2H3,(H,19,20)
InChIKeyGPVDHTSTWLIMHB-UHFFFAOYSA-N
XLogP4.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.07
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide
CID 81499961
3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 106544979
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701
3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 107951997
N-(3-bromo-4-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 80712346
N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide
CID 107948694
3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
CID 106547581
3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 106547271
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide
CID 81295554
N-(4-bromo-2,6-difluorophenyl)-2-methoxybenzamide
CID 65499723
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide (CID 106545841) is 3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide is COc1cc(Br)cc(C)c1NC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide?
The InChIKey is GPVDHTSTWLIMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO2/c1-8-6-9(16)7-12(21-2)14(8)19-15(20)10-4-3-5-11(17)13(10)18/h3-7H,1-2H3,(H,19,20).
What are the key properties of 3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide?
3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide has a molecular weight of 417.07 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 106545841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).