2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide

C12H15BrFNO2 — CID 81055309

IUPAC2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide
SMILESCCOCCN(C)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO2/c1-3-17-7-6-15(2)12(16)10-5-4-9(14)8-11(10)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyPORROIRSBLTBHY-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.70
Rot. Bonds5

About 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide

2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide (PubChem CID 81055309) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide
PubChem CID81055309
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide
SMILESCCOCCN(C)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO2/c1-3-17-7-6-15(2)12(16)10-5-4-9(14)8-11(10)13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyPORROIRSBLTBHY-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxyethyl 2-bromo-4-fluorobenzoate
CID 78832548
2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide
CID 81056379
4-bromo-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzamide
CID 113296075
2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55866365
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 114242810
2-bromo-N-(2-chloro-3-methoxypropyl)-4-fluoro-N-methylbenzamide
CID 55186683
3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide
CID 103909435
4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide
CID 81055002
5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide
CID 81055207
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 81062736
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide
CID 114242556
2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
CID 103883141

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide (CID 81055309) is 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide is CCOCCN(C)C(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide?
The InChIKey is PORROIRSBLTBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-3-17-7-6-15(2)12(16)10-5-4-9(14)8-11(10)13/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide?
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide has a molecular weight of 304.16 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 81055309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).