2-bromo-N-ethyl-6-fluoro-N-methylbenzamide

C10H11BrFNO — CID 115678344

IUPAC2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
SMILESCCN(C)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C10H11BrFNO/c1-3-13(2)10(14)9-7(11)5-4-6-8(9)12/h4-6H,3H2,1-2H3
InChIKeyHRORKDMORFNNBZ-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.68
Rot. Bonds2

About 2-bromo-N-ethyl-6-fluoro-N-methylbenzamide

2-bromo-N-ethyl-6-fluoro-N-methylbenzamide (PubChem CID 115678344) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 2-bromo-N-ethyl-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
PubChem CID115678344
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
SMILESCCN(C)C(=O)c1c(F)cccc1Br
InChIInChI=1S/C10H11BrFNO/c1-3-13(2)10(14)9-7(11)5-4-6-8(9)12/h4-6H,3H2,1-2H3
InChIKeyHRORKDMORFNNBZ-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-ethyl-N,6-dimethylbenzamide
CID 130664662
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
CID 130956774
2-bromo-N-(2-chloropropyl)-6-fluoro-N-methylbenzamide
CID 114561002
N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114558373
2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 115680864
2-bromo-N-(2-cyanoethyl)-6-fluoro-N-methylbenzamide
CID 115678772
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114560773
methyl 3-[(2-bromo-6-fluorobenzoyl)-methylamino]propanoate
CID 115681679
2-bromo-6-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 115678696
2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 114559597

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-6-fluoro-N-methylbenzamide?
The IUPAC name of 2-bromo-N-ethyl-6-fluoro-N-methylbenzamide (CID 115678344) is 2-bromo-N-ethyl-6-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-ethyl-6-fluoro-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-ethyl-6-fluoro-N-methylbenzamide is CCN(C)C(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-ethyl-6-fluoro-N-methylbenzamide?
The InChIKey is HRORKDMORFNNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-3-13(2)10(14)9-7(11)5-4-6-8(9)12/h4-6H,3H2,1-2H3.
What are the key properties of 2-bromo-N-ethyl-6-fluoro-N-methylbenzamide?
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide has a molecular weight of 260.11 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 115678344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).