2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide

C21H19ClN2O3 — CID 4822554

IUPAC2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide
SMILESCN(CC(=O)Nc1cccc2ccccc12)C(=O)COc1ccccc1Cl
InChIInChI=1S/C21H19ClN2O3/c1-24(21(26)14-27-19-12-5-4-10-17(19)22)13-20(25)23-18-11-6-8-15-7-2-3-9-16(15)18/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyACQWAQSLIICDKA-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.97
Rot. Bonds6

About 2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide

2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide (PubChem CID 4822554) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide
PubChem CID4822554
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide
SMILESCN(CC(=O)Nc1cccc2ccccc12)C(=O)COc1ccccc1Cl
InChIInChI=1S/C21H19ClN2O3/c1-24(21(26)14-27-19-12-5-4-10-17(19)22)13-20(25)23-18-11-6-8-15-7-2-3-9-16(15)18/h2-12H,13-14H2,1H3,(H,23,25)
InChIKeyACQWAQSLIICDKA-UHFFFAOYSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2676301
N-(2-chlorophenyl)-2-[[2-(2-fluorophenoxy)acetyl]-methylamino]acetamide
CID 7434026
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 34597943
2-(2-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 4990404
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
N-(2-chlorophenyl)-2-[[2-(4-ethylphenoxy)acetyl]-methylamino]acetamide
CID 9409682
2-(2,5-dichlorophenoxy)-N-naphthalen-1-ylacetamide
CID 19167989
N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-4-naphthalen-1-yloxybutanamide
CID 55718491
(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide
CID 9207458
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317396
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 7851347
2-(2-chlorophenoxy)-N,N-dimethylacetamide
CID 28639790

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide (CID 4822554) is 2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide is CN(CC(=O)Nc1cccc2ccccc12)C(=O)COc1ccccc1Cl.
What is the InChIKey of 2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide?
The InChIKey is ACQWAQSLIICDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-24(21(26)14-27-19-12-5-4-10-17(19)22)13-20(25)23-18-11-6-8-15-7-2-3-9-16(15)18/h2-12H,13-14H2,1H3,(H,23,25).
What are the key properties of 2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide?
2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide has a molecular weight of 382.85 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenoxy)acetyl]-methylamino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 4822554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).