2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide

C13H7Br2ClFNO — CID 114370697

IUPAC2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cc(Br)ccc1Br
InChIInChI=1S/C13H7Br2ClFNO/c14-7-1-3-10(15)9(5-7)13(19)18-12-4-2-8(16)6-11(12)17/h1-6H,(H,18,19)
InChIKeyHCWTYYXLYGXFRG-UHFFFAOYSA-N
MW407.46 g/mol
LogP5.26
Rot. Bonds2

About 2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide

2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide (PubChem CID 114370697) has the molecular formula C13H7Br2ClFNO and a molecular weight of 407.46 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide
PubChem CID114370697
Molecular FormulaC13H7Br2ClFNO
Molecular Weight407.46 g/mol
Exact Mass404.86
IUPAC Name2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1cc(Br)ccc1Br
InChIInChI=1S/C13H7Br2ClFNO/c14-7-1-3-10(15)9(5-7)13(19)18-12-4-2-8(16)6-11(12)17/h1-6H,(H,18,19)
InChIKeyHCWTYYXLYGXFRG-UHFFFAOYSA-N
XLogP5.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
CID 80948575
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
N-(2-amino-5-chlorophenyl)-2,5-dibromobenzamide
CID 114367618
5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64793128
2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide
CID 107791014
N-(2-bromo-4-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 81027870
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-chlorobenzamide
CID 103842628
2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
CID 114018389
N-(4-bromo-2-fluorophenyl)-6-chloro-2-oxochromene-3-carboxamide
CID 100795022
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000
N-(2-amino-5-chlorophenyl)-5-bromo-2-fluorobenzamide
CID 24699699
N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide
CID 103805312

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide (CID 114370697) is 2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide is O=C(Nc1ccc(Cl)cc1F)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide?
The InChIKey is HCWTYYXLYGXFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClFNO/c14-7-1-3-10(15)9(5-7)13(19)18-12-4-2-8(16)6-11(12)17/h1-6H,(H,18,19).
What are the key properties of 2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide?
2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide has a molecular weight of 407.46 g/mol, XLogP of 5.26, 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-(4-chloro-2-fluorophenyl)benzamide is sourced from PubChem (CID 114370697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).