2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide

C18H19ClN2O3 — CID 170896491

IUPAC2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide
SMILESCN(C)CC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-21(2)11-17(22)13-4-3-5-15(10-13)20-18(23)12-24-16-8-6-14(19)7-9-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyGBIPLRJJEVEUGQ-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.10
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide

2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide (PubChem CID 170896491) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide
PubChem CID170896491
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide
SMILESCN(C)CC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O3/c1-21(2)11-17(22)13-4-3-5-15(10-13)20-18(23)12-24-16-8-6-14(19)7-9-16/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyGBIPLRJJEVEUGQ-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197376
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888092
2-(4-chlorophenoxy)-N-(3-iodophenyl)acetamide
CID 7738324
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-[2-(diethylamino)ethyl]benzamide
CID 13140655
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 26158844
3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 9229534
2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4884299
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
CID 106912648
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
3-[[2-(4-acetylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32627222
2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide
CID 170896449

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide (CID 170896491) is 2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide is CN(C)CC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide?
The InChIKey is GBIPLRJJEVEUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-21(2)11-17(22)13-4-3-5-15(10-13)20-18(23)12-24-16-8-6-14(19)7-9-16/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide?
2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide has a molecular weight of 346.81 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide is sourced from PubChem (CID 170896491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).