4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide

C13H6Br4FNO — CID 43126410

IUPAC4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)c1ccc(Br)cc1F
InChIInChI=1S/C13H6Br4FNO/c14-6-1-2-8(11(18)5-6)13(20)19-12-9(16)3-7(15)4-10(12)17/h1-5H,(H,19,20)
InChIKeyGGAZIAKHPCMDLC-UHFFFAOYSA-N
MW530.81 g/mol
LogP6.13
Rot. Bonds2

About 4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide

4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide (PubChem CID 43126410) has the molecular formula C13H6Br4FNO and a molecular weight of 530.81 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
PubChem CID43126410
Molecular FormulaC13H6Br4FNO
Molecular Weight530.81 g/mol
Exact Mass526.72
IUPAC Name4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)c1ccc(Br)cc1F
InChIInChI=1S/C13H6Br4FNO/c14-6-1-2-8(11(18)5-6)13(20)19-12-9(16)3-7(15)4-10(12)17/h1-5H,(H,19,20)
InChIKeyGGAZIAKHPCMDLC-UHFFFAOYSA-N
XLogP6.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.81
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585
4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 18089577
4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide
CID 26692195
4,5,6-tribromo-1-N,3-N-bis(2,4,6-tribromophenyl)benzene-1,3-dicarboxamide
CID 101287009
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676597
2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 62509199
4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26688276
N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide
CID 65470097
4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide
CID 33154064
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497
N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide
CID 79754685
2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide
CID 114343907

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide (CID 43126410) is 4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide is O=C(Nc1c(Br)cc(Br)cc1Br)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide?
The InChIKey is GGAZIAKHPCMDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br4FNO/c14-6-1-2-8(11(18)5-6)13(20)19-12-9(16)3-7(15)4-10(12)17/h1-5H,(H,19,20).
What are the key properties of 4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide?
4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide has a molecular weight of 530.81 g/mol, XLogP of 6.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide is sourced from PubChem (CID 43126410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).