N-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide

C15H12BrClFNO — CID 47097770

IUPACN-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide
SMILESCC(NC(=O)c1c(F)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClFNO/c1-9(10-5-7-11(16)8-6-10)19-15(20)14-12(17)3-2-4-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyWHLKQFPUYAGYSC-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.73
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide

N-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide (PubChem CID 47097770) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide
PubChem CID47097770
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide
SMILESCC(NC(=O)c1c(F)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClFNO/c1-9(10-5-7-11(16)8-6-10)19-15(20)14-12(17)3-2-4-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyWHLKQFPUYAGYSC-UHFFFAOYSA-N
XLogP4.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide (CID 47097770) is N-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide is CC(NC(=O)c1c(F)cccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide?
The InChIKey is WHLKQFPUYAGYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c1-9(10-5-7-11(16)8-6-10)19-15(20)14-12(17)3-2-4-13(14)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide?
N-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide has a molecular weight of 356.62 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 47097770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).