3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide

C15H12Br2FNO — CID 106545347

IUPAC3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H12Br2FNO/c1-8-6-10(16)7-9(2)14(8)19-15(20)11-4-3-5-12(17)13(11)18/h3-7H,1-2H3,(H,19,20)
InChIKeySIOTXWAVDSMSNE-UHFFFAOYSA-N
MW401.07 g/mol
LogP5.22
Rot. Bonds2

About 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide

3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide (PubChem CID 106545347) has the molecular formula C15H12Br2FNO and a molecular weight of 401.07 g/mol. Its IUPAC name is 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
PubChem CID106545347
Molecular FormulaC15H12Br2FNO
Molecular Weight401.07 g/mol
Exact Mass398.93
IUPAC Name3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H12Br2FNO/c1-8-6-10(16)7-9(2)14(8)19-15(20)11-4-3-5-12(17)13(11)18/h3-7H,1-2H3,(H,19,20)
InChIKeySIOTXWAVDSMSNE-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.07
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide
CID 106545841
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701
3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
CID 106547581
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515
2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide
CID 28520538
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986
3-bromo-N-(2,6-dichlorophenyl)-2-fluorobenzamide
CID 107951647
3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 106547271
N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
CID 65469148
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840
3-amino-N-(4-bromo-2,6-dimethylphenyl)-2-chlorobenzamide
CID 115930129

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide (CID 106545347) is 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide is Cc1cc(Br)cc(C)c1NC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide?
The InChIKey is SIOTXWAVDSMSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO/c1-8-6-10(16)7-9(2)14(8)19-15(20)11-4-3-5-12(17)13(11)18/h3-7H,1-2H3,(H,19,20).
What are the key properties of 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide?
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide has a molecular weight of 401.07 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 106545347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).