[2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate

C18H14FN3O4 — CID 7878238

IUPAC[2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESN#Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14FN3O4/c19-14-5-3-13(4-6-14)18(25)21-10-17(24)26-11-16(23)22-15-7-1-12(9-20)2-8-15/h1-8H,10-11H2,(H,21,25)(H,22,23)
InChIKeyDGEMQODERSITTG-UHFFFAOYSA-N
MW355.33 g/mol
LogP1.61
Rot. Bonds6

About [2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate

[2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate (PubChem CID 7878238) has the molecular formula C18H14FN3O4 and a molecular weight of 355.33 g/mol. Its IUPAC name is [2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
PubChem CID7878238
Molecular FormulaC18H14FN3O4
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC Name[2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESN#Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14FN3O4/c19-14-5-3-13(4-6-14)18(25)21-10-17(24)26-11-16(23)22-15-7-1-12(9-20)2-8-15/h1-8H,10-11H2,(H,21,25)(H,22,23)
InChIKeyDGEMQODERSITTG-UHFFFAOYSA-N
XLogP1.61
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878170
[2-(3-fluoroanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877443
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 27916887
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
[2-(3-cyanoanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921393
[2-(4-cyanoanilino)-2-oxoethyl] propanoate
CID 7851425
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 2434099
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345710
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 4842902
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878271
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
CID 7783383

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate (CID 7878238) is [2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate is N#Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
The InChIKey is DGEMQODERSITTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4/c19-14-5-3-13(4-6-14)18(25)21-10-17(24)26-11-16(23)22-15-7-1-12(9-20)2-8-15/h1-8H,10-11H2,(H,21,25)(H,22,23).
What are the key properties of [2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate?
[2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate has a molecular weight of 355.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 7878238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).