2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide

C22H19ClN2O3 — CID 87002083

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O3/c1-25(14-16-3-2-12-24-13-16)21(26)15-28-20-10-6-18(7-11-20)22(27)17-4-8-19(23)9-5-17/h2-13H,14-15H2,1H3
InChIKeyCGWGLLPULMRNDB-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.00
Rot. Bonds7

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 87002083) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID87002083
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O3/c1-25(14-16-3-2-12-24-13-16)21(26)15-28-20-10-6-18(7-11-20)22(27)17-4-8-19(23)9-5-17/h2-13H,14-15H2,1H3
InChIKeyCGWGLLPULMRNDB-UHFFFAOYSA-N
XLogP4.00
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)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

2-[4-(4-chlorobenzoyl)phenoxy]-N,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 154646124
ethyl 4-[[2-(4-chlorophenoxy)acetyl]-(pyridin-3-ylmethyl)amino]benzoate
CID 22778176
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
2-[4-(4-chlorobenzoyl)phenoxy]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide
CID 56510085
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 78801070
2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 43397563
3-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 87002102
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 40983556
2-[2-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 43563276
N-(4-methoxyphenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 110360620
2-(4-chlorophenoxy)-1-pyridin-3-ylethanone
CID 86157573

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide (CID 87002083) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide is CN(Cc1cccnc1)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is CGWGLLPULMRNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-25(14-16-3-2-12-24-13-16)21(26)15-28-20-10-6-18(7-11-20)22(27)17-4-8-19(23)9-5-17/h2-13H,14-15H2,1H3.
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 394.86 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-methyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 87002083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).