2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide

C16H15Cl2N3O2 — CID 86910946

IUPAC2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
SMILESN#CCCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccco1
InChIInChI=1S/C16H15Cl2N3O2/c17-13-5-1-6-14(18)16(13)20-15(22)11-21(8-3-7-19)10-12-4-2-9-23-12/h1-2,4-6,9H,3,8,10-11H2,(H,20,22)
InChIKeyRUQAGZWYIDNELZ-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.94
Rot. Bonds7

About 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide

2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide (PubChem CID 86910946) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
PubChem CID86910946
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
SMILESN#CCCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccco1
InChIInChI=1S/C16H15Cl2N3O2/c17-13-5-1-6-14(18)16(13)20-15(22)11-21(8-3-7-19)10-12-4-2-9-23-12/h1-2,4-6,9H,3,8,10-11H2,(H,20,22)
InChIKeyRUQAGZWYIDNELZ-UHFFFAOYSA-N
XLogP3.94
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide 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

N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 86910978
N-(2,6-dichlorophenyl)-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150398
3-[(2,6-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile
CID 78823733
2-[acetyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113161143
N-(5-chloro-2-methoxyphenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 78823068
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 78822926
N-(2-chlorophenyl)-2-[[2-[2-cyanoethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8843259
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 78822968
3-[(2-chloro-6-fluorophenyl)methyl-(furan-2-ylmethyl)amino]propanenitrile
CID 78823683
2-[bis(furan-2-ylmethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 8840881
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 86910979
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 86911016

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide (CID 86910946) is 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide is N#CCCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccco1.
What is the InChIKey of 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is RUQAGZWYIDNELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-13-5-1-6-14(18)16(13)20-15(22)11-21(8-3-7-19)10-12-4-2-9-23-12/h1-2,4-6,9H,3,8,10-11H2,(H,20,22).
What are the key properties of 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide?
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 352.22 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 86910946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).