[4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite

C13H8Br3NO2 — CID 67302853

IUPAC[4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite
SMILESO=C(Nc1cccc(Br)c1)c1cc(Br)ccc1OBr
InChIInChI=1S/C13H8Br3NO2/c14-8-2-1-3-10(6-8)17-13(18)11-7-9(15)4-5-12(11)19-16/h1-7H,(H,17,18)
InChIKeyUBGNBIUIZBDWIK-UHFFFAOYSA-N
MW449.92 g/mol
LogP5.15
Rot. Bonds3

About [4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite

[4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite (PubChem CID 67302853) has the molecular formula C13H8Br3NO2 and a molecular weight of 449.92 g/mol. Its IUPAC name is [4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite.

Molecular Properties

Compound Name[4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite
PubChem CID67302853
Molecular FormulaC13H8Br3NO2
Molecular Weight449.92 g/mol
Exact Mass446.81
IUPAC Name[4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite
SMILESO=C(Nc1cccc(Br)c1)c1cc(Br)ccc1OBr
InChIInChI=1S/C13H8Br3NO2/c14-8-2-1-3-10(6-8)17-13(18)11-7-9(15)4-5-12(11)19-16/h1-7H,(H,17,18)
InChIKeyUBGNBIUIZBDWIK-UHFFFAOYSA-N
XLogP5.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.92
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
5-bromo-N-[3-(propan-2-ylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 17197517
3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid
CID 1026604
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 26164799
methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
CID 65311803
5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide
CID 17187649
2-amino-3,5-dibromo-N-(3-bromophenyl)benzamide
CID 44586314
5-bromo-N-[3-(tert-butylcarbamoyl)phenyl]-2-propan-2-yloxybenzamide
CID 28639516
N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide
CID 17234910
N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide
CID 17189847

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite?
The IUPAC name of [4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite (CID 67302853) is [4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite.
What is the SMILES notation for [4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite?
The canonical SMILES for [4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite is O=C(Nc1cccc(Br)c1)c1cc(Br)ccc1OBr.
What is the InChIKey of [4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite?
The InChIKey is UBGNBIUIZBDWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br3NO2/c14-8-2-1-3-10(6-8)17-13(18)11-7-9(15)4-5-12(11)19-16/h1-7H,(H,17,18).
What are the key properties of [4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite?
[4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite has a molecular weight of 449.92 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-[(3-bromophenyl)carbamoyl]phenyl] hypobromite is sourced from PubChem (CID 67302853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).