2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide

C16H17BrN2O3 — CID 38537714

IUPAC2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
SMILESCCOc1ncccc1CNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O3/c1-2-21-16-12(4-3-9-18-16)10-19-15(20)11-22-14-7-5-13(17)6-8-14/h3-9H,2,10-11H2,1H3,(H,19,20)
InChIKeyZUZLOTNXYZSUDA-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.94
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide

2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide (PubChem CID 38537714) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
PubChem CID38537714
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
SMILESCCOc1ncccc1CNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O3/c1-2-21-16-12(4-3-9-18-16)10-19-15(20)11-22-14-7-5-13(17)6-8-14/h3-9H,2,10-11H2,1H3,(H,19,20)
InChIKeyZUZLOTNXYZSUDA-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
CID 55774453
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
CID 55761433
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
CID 37487522
3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 37487440
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-yl)propanamide
CID 37487260
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
N-[(2-ethoxy-3-pyridinyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111520352
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
2-(4-aminophenoxy)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82733539
3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 38538413
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide (CID 38537714) is 2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide is CCOc1ncccc1CNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide?
The InChIKey is ZUZLOTNXYZSUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-2-21-16-12(4-3-9-18-16)10-19-15(20)11-22-14-7-5-13(17)6-8-14/h3-9H,2,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide?
2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 365.23 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 38537714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).