4-bromo-N-(4-bromophenyl)-3-fluorobenzamide

C13H8Br2FNO — CID 47421880

IUPAC4-bromo-N-(4-bromophenyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H8Br2FNO/c14-9-2-4-10(5-3-9)17-13(18)8-1-6-11(15)12(16)7-8/h1-7H,(H,17,18)
InChIKeyWWYXZFHGRXDZPI-UHFFFAOYSA-N
MW373.02 g/mol
LogP4.60
Rot. Bonds2

About 4-bromo-N-(4-bromophenyl)-3-fluorobenzamide

4-bromo-N-(4-bromophenyl)-3-fluorobenzamide (PubChem CID 47421880) has the molecular formula C13H8Br2FNO and a molecular weight of 373.02 g/mol. Its IUPAC name is 4-bromo-N-(4-bromophenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromophenyl)-3-fluorobenzamide
PubChem CID47421880
Molecular FormulaC13H8Br2FNO
Molecular Weight373.02 g/mol
Exact Mass370.90
IUPAC Name4-bromo-N-(4-bromophenyl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H8Br2FNO/c14-9-2-4-10(5-3-9)17-13(18)8-1-6-11(15)12(16)7-8/h1-7H,(H,17,18)
InChIKeyWWYXZFHGRXDZPI-UHFFFAOYSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.02
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzanilide
CID 7168
Benzamide, N-(3-bromophenyl)-
CID 202396
2-bromo-N-(3-butyramidophenyl)benzamide
CID 1048267
4'-Bromo-2-chlorobenzanilide
CID 221829
Benzamide, 2-bromo-N-(4-bromophenyl)-
CID 603324
N-(4-Fluorophenyl)benzamide
CID 242889
2-fluoro-N-(4-fluorophenyl)benzamide
CID 531933
Benzamide, N-(4-bromophenyl)-
CID 101357
4'-Bromo-4-methylbenzanilide
CID 531830
2-Bromo-N-M-tolyl-benzamide
CID 532187
n-(3-Fluorophenyl)benzamide
CID 242888
3-fluoro-N-phenylbenzamide
CID 242891

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromophenyl)-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-(4-bromophenyl)-3-fluorobenzamide (CID 47421880) is 4-bromo-N-(4-bromophenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(4-bromophenyl)-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(4-bromophenyl)-3-fluorobenzamide is O=C(Nc1ccc(Br)cc1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(4-bromophenyl)-3-fluorobenzamide?
The InChIKey is WWYXZFHGRXDZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2FNO/c14-9-2-4-10(5-3-9)17-13(18)8-1-6-11(15)12(16)7-8/h1-7H,(H,17,18).
What are the key properties of 4-bromo-N-(4-bromophenyl)-3-fluorobenzamide?
4-bromo-N-(4-bromophenyl)-3-fluorobenzamide has a molecular weight of 373.02 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-bromophenyl)-3-fluorobenzamide is sourced from PubChem (CID 47421880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).