5-bromo-2-fluoro-N,N,4-trimethylbenzamide

C10H11BrFNO — CID 146171178

IUPAC5-bromo-2-fluoro-N,N,4-trimethylbenzamide
SMILESCc1cc(F)c(C(=O)N(C)C)cc1Br
InChIInChI=1S/C10H11BrFNO/c1-6-4-9(12)7(5-8(6)11)10(14)13(2)3/h4-5H,1-3H3
InChIKeyQNUHBCNHOWCDQV-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.60
Rot. Bonds1

About 5-bromo-2-fluoro-N,N,4-trimethylbenzamide

5-bromo-2-fluoro-N,N,4-trimethylbenzamide (PubChem CID 146171178) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N,N,4-trimethylbenzamide
PubChem CID146171178
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name5-bromo-2-fluoro-N,N,4-trimethylbenzamide
SMILESCc1cc(F)c(C(=O)N(C)C)cc1Br
InChIInChI=1S/C10H11BrFNO/c1-6-4-9(12)7(5-8(6)11)10(14)13(2)3/h4-5H,1-3H3
InChIKeyQNUHBCNHOWCDQV-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide
CID 146171179
4-bromo-N,N,2,5-tetramethylbenzamide
CID 176915241
4-bromo-2-fluoro-5-hydroxy-N,N-dimethylbenzamide
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2-amino-1-(5-bromo-2-fluoro-4-methylphenyl)ethanone
CID 84705512
(5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
CID 146171182
5-bromo-2-fluorobenzoic acid;5-bromo-2-fluoro-N,N-dimethylbenzamide
CID 158616981
2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372566
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
5-bromo-N,N,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393792
1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone
CID 131292332
5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide
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2-amino-1-(4-bromo-2-fluoro-5-methylphenyl)propan-1-one
CID 84806363

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N,N,4-trimethylbenzamide?
The IUPAC name of 5-bromo-2-fluoro-N,N,4-trimethylbenzamide (CID 146171178) is 5-bromo-2-fluoro-N,N,4-trimethylbenzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N,N,4-trimethylbenzamide?
The canonical SMILES for 5-bromo-2-fluoro-N,N,4-trimethylbenzamide is Cc1cc(F)c(C(=O)N(C)C)cc1Br.
What is the InChIKey of 5-bromo-2-fluoro-N,N,4-trimethylbenzamide?
The InChIKey is QNUHBCNHOWCDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-6-4-9(12)7(5-8(6)11)10(14)13(2)3/h4-5H,1-3H3.
What are the key properties of 5-bromo-2-fluoro-N,N,4-trimethylbenzamide?
5-bromo-2-fluoro-N,N,4-trimethylbenzamide has a molecular weight of 260.11 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N,N,4-trimethylbenzamide is sourced from PubChem (CID 146171178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).