[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate

C21H18ClNO5 — CID 8732341

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESCOc1cccc(NC(=O)COC(=O)COc2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C21H18ClNO5/c1-26-15-6-4-5-14(11-15)23-20(24)12-28-21(25)13-27-19-10-9-18(22)16-7-2-3-8-17(16)19/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyQKWVHNFTLFYITQ-UHFFFAOYSA-N
MW399.83 g/mol
LogP4.06
Rot. Bonds7

About [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate

[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate (PubChem CID 8732341) has the molecular formula C21H18ClNO5 and a molecular weight of 399.83 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
PubChem CID8732341
Molecular FormulaC21H18ClNO5
Molecular Weight399.83 g/mol
Exact Mass399.09
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
SMILESCOc1cccc(NC(=O)COC(=O)COc2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C21H18ClNO5/c1-26-15-6-4-5-14(11-15)23-20(24)12-28-21(25)13-27-19-10-9-18(22)16-7-2-3-8-17(16)19/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyQKWVHNFTLFYITQ-UHFFFAOYSA-N
XLogP4.06
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732488
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
2-(5-chloroquinolin-8-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 8716362
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate
CID 41059684
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate
CID 35778947
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732362
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2357826
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(2-hydroxyphenoxy)acetate
CID 23883804
3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide
CID 26000335
[2-(3-methoxyanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588862
[2-(3-iodoanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 41465436

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate (CID 8732341) is [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate is COc1cccc(NC(=O)COC(=O)COc2ccc(Cl)c3ccccc23)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
The InChIKey is QKWVHNFTLFYITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO5/c1-26-15-6-4-5-14(11-15)23-20(24)12-28-21(25)13-27-19-10-9-18(22)16-7-2-3-8-17(16)19/h2-11H,12-13H2,1H3,(H,23,24).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate has a molecular weight of 399.83 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate is sourced from PubChem (CID 8732341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).