2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide

C13H5Br2F4NO — CID 107642067

IUPAC2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)c1cc(Br)ccc1Br
InChIInChI=1S/C13H5Br2F4NO/c14-5-1-2-7(15)6(3-5)13(21)20-12-10(18)8(16)4-9(17)11(12)19/h1-4H,(H,20,21)
InChIKeyKVHZOZQNLREBCZ-UHFFFAOYSA-N
MW426.99 g/mol
LogP5.02
Rot. Bonds2

About 2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide

2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide (PubChem CID 107642067) has the molecular formula C13H5Br2F4NO and a molecular weight of 426.99 g/mol. Its IUPAC name is 2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide
PubChem CID107642067
Molecular FormulaC13H5Br2F4NO
Molecular Weight426.99 g/mol
Exact Mass424.87
IUPAC Name2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)c1cc(Br)ccc1Br
InChIInChI=1S/C13H5Br2F4NO/c14-5-1-2-7(15)6(3-5)13(21)20-12-10(18)8(16)4-9(17)11(12)19/h1-4H,(H,20,21)
InChIKeyKVHZOZQNLREBCZ-UHFFFAOYSA-N
XLogP5.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.99
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide
CID 89443501
2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide
CID 114370697
4-[(2,5-dibromobenzoyl)amino]-2-fluorobenzoic acid
CID 107793046
2,5-dibromo-N-(3-fluoro-4-methylphenyl)benzamide
CID 114369991
4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
CID 43126410
3-bromo-4-fluoro-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107953830
2,5-dibromo-N-(2,6-diethylphenyl)benzamide
CID 114369798
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000
N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide
CID 79754685
2,5-dibromo-N-pyrimidin-2-ylbenzamide
CID 1234506

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide (CID 107642067) is 2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide is O=C(Nc1c(F)c(F)cc(F)c1F)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide?
The InChIKey is KVHZOZQNLREBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Br2F4NO/c14-5-1-2-7(15)6(3-5)13(21)20-12-10(18)8(16)4-9(17)11(12)19/h1-4H,(H,20,21).
What are the key properties of 2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide?
2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide has a molecular weight of 426.99 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide is sourced from PubChem (CID 107642067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).