[2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate

C18H13Cl2N3O4 — CID 7880936

IUPAC[2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESN#Cc1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl2N3O4/c19-13-6-5-11(7-14(13)20)18(26)22-9-17(25)27-10-16(24)23-15-4-2-1-3-12(15)8-21/h1-7H,9-10H2,(H,22,26)(H,23,24)
InChIKeyCSIWPIIVTHTQCI-UHFFFAOYSA-N
MW406.23 g/mol
LogP2.78
Rot. Bonds6

About [2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate

[2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate (PubChem CID 7880936) has the molecular formula C18H13Cl2N3O4 and a molecular weight of 406.23 g/mol. Its IUPAC name is [2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
PubChem CID7880936
Molecular FormulaC18H13Cl2N3O4
Molecular Weight406.23 g/mol
Exact Mass405.03
IUPAC Name[2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESN#Cc1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl2N3O4/c19-13-6-5-11(7-14(13)20)18(26)22-9-17(25)27-10-16(24)23-15-4-2-1-3-12(15)8-21/h1-7H,9-10H2,(H,22,26)(H,23,24)
InChIKeyCSIWPIIVTHTQCI-UHFFFAOYSA-N
XLogP2.78
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885309
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662787
[2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701692
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881074
N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4511857
[2-(2-cyanoanilino)-2-oxoethyl] 3,5-dichlorobenzoate
CID 2351055
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 29335306
(2-anilino-2-oxoethyl) 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 7877303
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880742
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
[2-(2-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564011

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate (CID 7880936) is [2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate is N#Cc1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The InChIKey is CSIWPIIVTHTQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O4/c19-13-6-5-11(7-14(13)20)18(26)22-9-17(25)27-10-16(24)23-15-4-2-1-3-12(15)8-21/h1-7H,9-10H2,(H,22,26)(H,23,24).
What are the key properties of [2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
[2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate has a molecular weight of 406.23 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 7880936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).