2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide

C20H19BrN2O3 — CID 55774453

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
SMILESCCOc1ncccc1CNC(=O)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C20H19BrN2O3/c1-2-25-20-16(4-3-9-22-20)12-23-19(24)13-26-18-8-6-14-10-17(21)7-5-15(14)11-18/h3-11H,2,12-13H2,1H3,(H,23,24)
InChIKeyVMHKWTJTOUAYEC-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.09
Rot. Bonds7

About 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide

2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide (PubChem CID 55774453) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
PubChem CID55774453
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
SMILESCCOc1ncccc1CNC(=O)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C20H19BrN2O3/c1-2-25-20-16(4-3-9-22-20)12-23-19(24)13-26-18-8-6-14-10-17(21)7-5-15(14)11-18/h3-11H,2,12-13H2,1H3,(H,23,24)
InChIKeyVMHKWTJTOUAYEC-UHFFFAOYSA-N
XLogP4.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
CID 38537714
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide
CID 55761433
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46583960
2-(6-bromonaphthalen-2-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55852862
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N-ethylacetamide
CID 9231222
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542
2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
CID 60616135
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 9231224
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-yl)propanamide
CID 37487260
2-(6-bromonaphthalen-2-yl)oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 7786789
2-(6-bromonaphthalen-2-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide
CID 7604570
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide (CID 55774453) is 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide is CCOc1ncccc1CNC(=O)COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide?
The InChIKey is VMHKWTJTOUAYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c1-2-25-20-16(4-3-9-22-20)12-23-19(24)13-26-18-8-6-14-10-17(21)7-5-15(14)11-18/h3-11H,2,12-13H2,1H3,(H,23,24).
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 415.29 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-[(2-ethoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 55774453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).