N-(3-bromophenyl)-3-fluorobenzamide

C13H9BrFNO — CID 3532749

IUPACN-(3-bromophenyl)-3-fluorobenzamide
SMILESO=C(Nc1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C13H9BrFNO/c14-10-4-2-6-12(8-10)16-13(17)9-3-1-5-11(15)7-9/h1-8H,(H,16,17)
InChIKeyZOTYGAKBXXZPLU-UHFFFAOYSA-N
MW294.12 g/mol
LogP3.84
Rot. Bonds2

About N-(3-bromophenyl)-3-fluorobenzamide

N-(3-bromophenyl)-3-fluorobenzamide (PubChem CID 3532749) has the molecular formula C13H9BrFNO and a molecular weight of 294.12 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-fluorobenzamide
PubChem CID3532749
Molecular FormulaC13H9BrFNO
Molecular Weight294.12 g/mol
Exact Mass292.99
IUPAC NameN-(3-bromophenyl)-3-fluorobenzamide
SMILESO=C(Nc1cccc(Br)c1)c1cccc(F)c1
InChIInChI=1S/C13H9BrFNO/c14-10-4-2-6-12(8-10)16-13(17)9-3-1-5-11(15)7-9/h1-8H,(H,16,17)
InChIKeyZOTYGAKBXXZPLU-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.12
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-fluorobenzamide?
The IUPAC name of N-(3-bromophenyl)-3-fluorobenzamide (CID 3532749) is N-(3-bromophenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(3-bromophenyl)-3-fluorobenzamide?
The canonical SMILES for N-(3-bromophenyl)-3-fluorobenzamide is O=C(Nc1cccc(Br)c1)c1cccc(F)c1.
What is the InChIKey of N-(3-bromophenyl)-3-fluorobenzamide?
The InChIKey is ZOTYGAKBXXZPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO/c14-10-4-2-6-12(8-10)16-13(17)9-3-1-5-11(15)7-9/h1-8H,(H,16,17).
What are the key properties of N-(3-bromophenyl)-3-fluorobenzamide?
N-(3-bromophenyl)-3-fluorobenzamide has a molecular weight of 294.12 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-fluorobenzamide is sourced from PubChem (CID 3532749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).