[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate

C22H18F2N2O4 — CID 8574089

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)OCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C22H18F2N2O4/c23-16-8-9-19(18(24)11-16)26-21(28)13-30-22(29)12-25-20(27)10-15-6-3-5-14-4-1-2-7-17(14)15/h1-9,11H,10,12-13H2,(H,25,27)(H,26,28)
InChIKeyZWSNIZTVCFJBDC-UHFFFAOYSA-N
MW412.39 g/mol
LogP2.96
Rot. Bonds7

About [2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate

[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate (PubChem CID 8574089) has the molecular formula C22H18F2N2O4 and a molecular weight of 412.39 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
PubChem CID8574089
Molecular FormulaC22H18F2N2O4
Molecular Weight412.39 g/mol
Exact Mass412.12
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)OCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C22H18F2N2O4/c23-16-8-9-19(18(24)11-16)26-21(28)13-30-22(29)12-25-20(27)10-15-6-3-5-14-4-1-2-7-17(14)15/h1-9,11H,10,12-13H2,(H,25,27)(H,26,28)
InChIKeyZWSNIZTVCFJBDC-UHFFFAOYSA-N
XLogP2.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625283
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574084
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574218
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548489
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-naphthalen-1-ylacetate
CID 2089456
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882572
[2-(3-ethylanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573254
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4801774
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555012
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8574122
2-(2-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide
CID 113000855
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193994

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate (CID 8574089) is [2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate is O=C(Cc1cccc2ccccc12)NCC(=O)OCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
The InChIKey is ZWSNIZTVCFJBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O4/c23-16-8-9-19(18(24)11-16)26-21(28)13-30-22(29)12-25-20(27)10-15-6-3-5-14-4-1-2-7-17(14)15/h1-9,11H,10,12-13H2,(H,25,27)(H,26,28).
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate?
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate has a molecular weight of 412.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate is sourced from PubChem (CID 8574089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).