3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide

C13H7Br2ClFNO — CID 107980248

IUPAC3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H7Br2ClFNO/c14-8-3-7(4-9(15)5-8)13(19)18-10-1-2-11(16)12(17)6-10/h1-6H,(H,18,19)
InChIKeyMZKMAVYYRQAWPA-UHFFFAOYSA-N
MW407.46 g/mol
LogP5.26
Rot. Bonds2

About 3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide

3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide (PubChem CID 107980248) has the molecular formula C13H7Br2ClFNO and a molecular weight of 407.46 g/mol. Its IUPAC name is 3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide
PubChem CID107980248
Molecular FormulaC13H7Br2ClFNO
Molecular Weight407.46 g/mol
Exact Mass404.86
IUPAC Name3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H7Br2ClFNO/c14-8-3-7(4-9(15)5-8)13(19)18-10-1-2-11(16)12(17)6-10/h1-6H,(H,18,19)
InChIKeyMZKMAVYYRQAWPA-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

3-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 60776244
3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 107972808
N-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide
CID 47228006
N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide
CID 107971082
N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide
CID 107997647
3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide
CID 63935702
N-(4-chloro-3-fluorophenyl)-3-hydroxybenzamide
CID 54955192
2-bromo-N-(4-chloro-3-fluorophenyl)benzamide
CID 47227901
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
CID 107937795
5-[(3,5-dibromobenzoyl)amino]-2-fluorobenzenesulfonic acid
CID 139946863
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide (CID 107980248) is 3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide is O=C(Nc1ccc(Cl)c(F)c1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide?
The InChIKey is MZKMAVYYRQAWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClFNO/c14-8-3-7(4-9(15)5-8)13(19)18-10-1-2-11(16)12(17)6-10/h1-6H,(H,18,19).
What are the key properties of 3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide?
3,5-dibromo-N-(4-chloro-3-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 3,5-dibromo-N-(4-chloro-3-fluorophenyl)benzamide is sourced from PubChem (CID 107980248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).