2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide

C20H20Cl2N4O2 — CID 27246695

IUPAC2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl2N4O2/c1-2-8-26(12-19(27)24-16-5-3-4-14(9-16)11-23)13-20(28)25-18-7-6-15(21)10-17(18)22/h3-7,9-10H,2,8,12-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyKGCWQBQFIWFBMB-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.15
Rot. Bonds8

About 2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide

2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide (PubChem CID 27246695) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is 2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
PubChem CID27246695
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC Name2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl2N4O2/c1-2-8-26(12-19(27)24-16-5-3-4-14(9-16)11-23)13-20(28)25-18-7-6-15(21)10-17(18)22/h3-7,9-10H,2,8,12-13H2,1H3,(H,24,27)(H,25,28)
InChIKeyKGCWQBQFIWFBMB-UHFFFAOYSA-N
XLogP4.15
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-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-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038792
3-cyano-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 31185067
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide
CID 4968627
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246805
3-(3-cyanoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042647
2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246768
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
N-(2,4-dichlorophenyl)-2-[[2-(N-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 26599527
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-(propanoylamino)-N-propylbenzamide
CID 52667899
2-[(6-cyano-2-pyridinyl)-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 133416634

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide (CID 27246695) is 2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide is CCCN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is KGCWQBQFIWFBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2/c1-2-8-26(12-19(27)24-16-5-3-4-14(9-16)11-23)13-20(28)25-18-7-6-15(21)10-17(18)22/h3-7,9-10H,2,8,12-13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide?
2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 419.31 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 27246695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).