2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide

C22H21BrN2O4 — CID 17011724

IUPAC2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide
SMILESCOc1ccc(CN(C(=O)COc2ccc(Br)cc2)c2ccccn2)cc1OC
InChIInChI=1S/C22H21BrN2O4/c1-27-19-11-6-16(13-20(19)28-2)14-25(21-5-3-4-12-24-21)22(26)15-29-18-9-7-17(23)8-10-18/h3-13H,14-15H2,1-2H3
InChIKeyHOTRXBBCXHBAFF-UHFFFAOYSA-N
MW457.32 g/mol
LogP4.47
Rot. Bonds8

About 2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide

2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide (PubChem CID 17011724) has the molecular formula C22H21BrN2O4 and a molecular weight of 457.32 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide
PubChem CID17011724
Molecular FormulaC22H21BrN2O4
Molecular Weight457.32 g/mol
Exact Mass456.07
IUPAC Name2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide
SMILESCOc1ccc(CN(C(=O)COc2ccc(Br)cc2)c2ccccn2)cc1OC
InChIInChI=1S/C22H21BrN2O4/c1-27-19-11-6-16(13-20(19)28-2)14-25(21-5-3-4-12-24-21)22(26)15-29-18-9-7-17(23)8-10-18/h3-13H,14-15H2,1-2H3
InChIKeyHOTRXBBCXHBAFF-UHFFFAOYSA-N
XLogP4.47
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.32
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
2-(4-benzoylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 27891131
N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 35573519
2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-pyridin-2-ylacetamide
CID 35578649
methyl 4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]benzoate
CID 7965611
2-(4-bromo-3,5-dimethylphenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 92674939
2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012481
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide
CID 4842945
2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 24979721
(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
CID 78777315
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylpropanamide
CID 35672557
N-[(4-bromophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 9416450

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide (CID 17011724) is 2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide is COc1ccc(CN(C(=O)COc2ccc(Br)cc2)c2ccccn2)cc1OC.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide?
The InChIKey is HOTRXBBCXHBAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O4/c1-27-19-11-6-16(13-20(19)28-2)14-25(21-5-3-4-12-24-21)22(26)15-29-18-9-7-17(23)8-10-18/h3-13H,14-15H2,1-2H3.
What are the key properties of 2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide?
2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide has a molecular weight of 457.32 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 17011724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).