N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide

C14H19BrFNO2 — CID 86672768

IUPACN-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide
SMILESCC(=O)N(CCOCCF)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H19BrFNO2/c1-10-8-13(9-11(2)14(10)15)17(12(3)18)5-7-19-6-4-16/h8-9H,4-7H2,1-3H3
InChIKeyAYXQVWBNILFUJQ-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.40
Rot. Bonds6

About N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide

N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide (PubChem CID 86672768) has the molecular formula C14H19BrFNO2 and a molecular weight of 332.21 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide
PubChem CID86672768
Molecular FormulaC14H19BrFNO2
Molecular Weight332.21 g/mol
Exact Mass331.06
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide
SMILESCC(=O)N(CCOCCF)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H19BrFNO2/c1-10-8-13(9-11(2)14(10)15)17(12(3)18)5-7-19-6-4-16/h8-9H,4-7H2,1-3H3
InChIKeyAYXQVWBNILFUJQ-UHFFFAOYSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide (CID 86672768) is N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide is CC(=O)N(CCOCCF)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide?
The InChIKey is AYXQVWBNILFUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2/c1-10-8-13(9-11(2)14(10)15)17(12(3)18)5-7-19-6-4-16/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide?
N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide has a molecular weight of 332.21 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-N-[2-(2-fluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 86672768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).