4,5-dibromo-2-(difluoromethoxy)benzamide

C8H5Br2F2NO2 — CID 118851773

IUPAC4,5-dibromo-2-(difluoromethoxy)benzamide
SMILESNC(=O)c1cc(Br)c(Br)cc1OC(F)F
InChIInChI=1S/C8H5Br2F2NO2/c9-4-1-3(7(13)14)6(2-5(4)10)15-8(11)12/h1-2,8H,(H2,13,14)
InChIKeyNICZQSUMTVQTOH-UHFFFAOYSA-N
MW344.94 g/mol
LogP2.91
Rot. Bonds3

About 4,5-dibromo-2-(difluoromethoxy)benzamide

4,5-dibromo-2-(difluoromethoxy)benzamide (PubChem CID 118851773) has the molecular formula C8H5Br2F2NO2 and a molecular weight of 344.94 g/mol. Its IUPAC name is 4,5-dibromo-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound Name4,5-dibromo-2-(difluoromethoxy)benzamide
PubChem CID118851773
Molecular FormulaC8H5Br2F2NO2
Molecular Weight344.94 g/mol
Exact Mass342.87
IUPAC Name4,5-dibromo-2-(difluoromethoxy)benzamide
SMILESNC(=O)c1cc(Br)c(Br)cc1OC(F)F
InChIInChI=1S/C8H5Br2F2NO2/c9-4-1-3(7(13)14)6(2-5(4)10)15-8(11)12/h1-2,8H,(H2,13,14)
InChIKeyNICZQSUMTVQTOH-UHFFFAOYSA-N
XLogP2.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.94
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-4-(difluoromethoxy)benzoic acid
CID 119002242
1-[5-bromo-2-(difluoromethoxy)-4-iodophenyl]ethanone
CID 131597786
4-(difluoromethoxy)-6-methylpyridine-3-carboxamide
CID 174869415
ethyl 5-amino-4-bromo-2-(difluoromethoxy)benzoate
CID 171019526
4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide
CID 118852223
4,5-diamino-2-(difluoromethoxy)benzoic acid
CID 67232291
1-[2-bromo-5-chloro-4-(difluoromethoxy)phenyl]ethanone
CID 131587225
methyl 5-bromo-2-(difluoromethoxy)-4-formylbenzoate
CID 171011223
2-(difluoromethoxy)-4,5-dimethylbenzoic acid
CID 131524654
1-[2-bromo-5-(difluoromethoxy)-4-methylphenyl]ethanone
CID 131290897
ethyl 2-bromo-4-(bromomethyl)-5-(difluoromethoxy)benzoate
CID 171004576
1,2-dibromo-4-(difluoromethoxy)-5-nitrobenzene
CID 118802196

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(difluoromethoxy)benzamide?
The IUPAC name of 4,5-dibromo-2-(difluoromethoxy)benzamide (CID 118851773) is 4,5-dibromo-2-(difluoromethoxy)benzamide.
What is the SMILES notation for 4,5-dibromo-2-(difluoromethoxy)benzamide?
The canonical SMILES for 4,5-dibromo-2-(difluoromethoxy)benzamide is NC(=O)c1cc(Br)c(Br)cc1OC(F)F.
What is the InChIKey of 4,5-dibromo-2-(difluoromethoxy)benzamide?
The InChIKey is NICZQSUMTVQTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2F2NO2/c9-4-1-3(7(13)14)6(2-5(4)10)15-8(11)12/h1-2,8H,(H2,13,14).
What are the key properties of 4,5-dibromo-2-(difluoromethoxy)benzamide?
4,5-dibromo-2-(difluoromethoxy)benzamide has a molecular weight of 344.94 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 118851773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).