N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide

C15H14BrFN2O2 — CID 166089636

IUPACN-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(COc2cccc(Br)n2)c(F)c1
InChIInChI=1S/C15H14BrFN2O2/c1-10(20)18-8-11-5-6-12(13(17)7-11)9-21-15-4-2-3-14(16)19-15/h2-7H,8-9H2,1H3,(H,18,20)
InChIKeyYITLUEDLFLXQST-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.20
Rot. Bonds5

About N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide

N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide (PubChem CID 166089636) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide
PubChem CID166089636
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC NameN-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(COc2cccc(Br)n2)c(F)c1
InChIInChI=1S/C15H14BrFN2O2/c1-10(20)18-8-11-5-6-12(13(17)7-11)9-21-15-4-2-3-14(16)19-15/h2-7H,8-9H2,1H3,(H,18,20)
InChIKeyYITLUEDLFLXQST-UHFFFAOYSA-N
XLogP3.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[(6-bromo-2-pyridinyl)oxymethyl]-4-fluoro-2-pyridinyl]methyl]acetamide
CID 166089312
2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine
CID 155612962
methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate
CID 19366333
2-bromo-6-[[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]methoxy]pyridine
CID 166089592
sodium;2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine;(4-chloro-2-fluorophenyl)methanol;2,6-dibromopyridine;hydride;oxolane
CID 159930111
2-bromo-6-[(4-bromophenyl)methoxy]pyridine
CID 82824913
methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]-5-cyanophenyl]-2,2-difluoroacetate
CID 166136513
2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]acetohydrazide
CID 178143871
methyl 2-[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-methylphenyl]acetate
CID 155433808
N-[(3-amino-4-fluorophenyl)methyl]acetamide
CID 89277317
[3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]phenyl]methylcarbamic acid
CID 21089249
(2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate
CID 32887884

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide (CID 166089636) is N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide is CC(=O)NCc1ccc(COc2cccc(Br)n2)c(F)c1.
What is the InChIKey of N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide?
The InChIKey is YITLUEDLFLXQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-10(20)18-8-11-5-6-12(13(17)7-11)9-21-15-4-2-3-14(16)19-15/h2-7H,8-9H2,1H3,(H,18,20).
What are the key properties of N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide?
N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide has a molecular weight of 353.19 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(6-bromo-2-pyridinyl)oxymethyl]-3-fluorophenyl]methyl]acetamide is sourced from PubChem (CID 166089636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).