2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide

C16H17BrN2O3 — CID 139307046

IUPAC2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide
SMILESCOc1ccc(COc2ccc(CNC(=O)CBr)nc2)cc1
InChIInChI=1S/C16H17BrN2O3/c1-21-14-5-2-12(3-6-14)11-22-15-7-4-13(18-10-15)9-19-16(20)8-17/h2-7,10H,8-9,11H2,1H3,(H,19,20)
InChIKeyDASMFBYBTHQTAV-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.68
Rot. Bonds7

About 2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide

2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide (PubChem CID 139307046) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide
PubChem CID139307046
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide
SMILESCOc1ccc(COc2ccc(CNC(=O)CBr)nc2)cc1
InChIInChI=1S/C16H17BrN2O3/c1-21-14-5-2-12(3-6-14)11-22-15-7-4-13(18-10-15)9-19-16(20)8-17/h2-7,10H,8-9,11H2,1H3,(H,19,20)
InChIKeyDASMFBYBTHQTAV-UHFFFAOYSA-N
XLogP2.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]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-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782732
2-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 79799613
1-[5-[(4-bromophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79775958
2,6-diamino-N-[(5-phenylmethoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 23130752
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19296435
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737936
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
3-(4-methoxyphenyl)-N-(1,3-oxazol-4-ylmethyl)propanamide
CID 110718948

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide (CID 139307046) is 2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide is COc1ccc(COc2ccc(CNC(=O)CBr)nc2)cc1.
What is the InChIKey of 2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide?
The InChIKey is DASMFBYBTHQTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-21-14-5-2-12(3-6-14)11-22-15-7-4-13(18-10-15)9-19-16(20)8-17/h2-7,10H,8-9,11H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide?
2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide has a molecular weight of 365.23 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 139307046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).