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

C15H12Br2FNO — CID 28520538

IUPAC2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H12Br2FNO/c1-8-5-10(16)6-9(2)14(8)19-15(20)12-4-3-11(18)7-13(12)17/h3-7H,1-2H3,(H,19,20)
InChIKeyRTYBIDCXOYTEFI-UHFFFAOYSA-N
MW401.07 g/mol
LogP5.22
Rot. Bonds2

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

2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide (PubChem CID 28520538) has the molecular formula C15H12Br2FNO and a molecular weight of 401.07 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide
PubChem CID28520538
Molecular FormulaC15H12Br2FNO
Molecular Weight401.07 g/mol
Exact Mass398.93
IUPAC Name2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide
SMILESCc1cc(Br)cc(C)c1NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H12Br2FNO/c1-8-5-10(16)6-9(2)14(8)19-15(20)12-4-3-11(18)7-13(12)17/h3-7H,1-2H3,(H,19,20)
InChIKeyRTYBIDCXOYTEFI-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

2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 16771478
3-[(2-bromo-4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914905
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide
CID 115745964
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide
CID 43549968
2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
CID 9192644
4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide
CID 107031288
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
N-(2-amino-4,6-dibromophenyl)-5-fluoro-2-methylbenzamide
CID 63047885

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide (CID 28520538) is 2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide is Cc1cc(Br)cc(C)c1NC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide?
The InChIKey is RTYBIDCXOYTEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO/c1-8-5-10(16)6-9(2)14(8)19-15(20)12-4-3-11(18)7-13(12)17/h3-7H,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide?
2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-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 2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 28520538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).