4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide

C11H12BrClFNO — CID 59725695

IUPAC4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide
SMILESCCN(CC)C(=O)c1c(F)cc(Br)cc1Cl
InChIInChI=1S/C11H12BrClFNO/c1-3-15(4-2)11(16)10-8(13)5-7(12)6-9(10)14/h5-6H,3-4H2,1-2H3
InChIKeyZQOFMLPOYKXYIS-UHFFFAOYSA-N
MW308.58 g/mol
LogP3.72
Rot. Bonds3

About 4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide

4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide (PubChem CID 59725695) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is 4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide
PubChem CID59725695
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC Name4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide
SMILESCCN(CC)C(=O)c1c(F)cc(Br)cc1Cl
InChIInChI=1S/C11H12BrClFNO/c1-3-15(4-2)11(16)10-8(13)5-7(12)6-9(10)14/h5-6H,3-4H2,1-2H3
InChIKeyZQOFMLPOYKXYIS-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-Bromo-N,N-diethyl-2-fluorobenzamide
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4-bromo-3-chloro-N,N-dimethylbenzamide
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2-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78771239
4-Bromo-2-chloro-N,N-dimethylbenzamide
CID 46739774
3-bromo-2-chloro-N,N-dimethylbenzamide
CID 103993799
2-chloro-6-fluoro-N,N-dimethylbenzamide
CID 60718043
2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide
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5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide?
The IUPAC name of 4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide (CID 59725695) is 4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide.
What is the SMILES notation for 4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide?
The canonical SMILES for 4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide is CCN(CC)C(=O)c1c(F)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide?
The InChIKey is ZQOFMLPOYKXYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c1-3-15(4-2)11(16)10-8(13)5-7(12)6-9(10)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide?
4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide has a molecular weight of 308.58 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide is sourced from PubChem (CID 59725695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).