N-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide

C20H22Cl2N4O2 — CID 135736239

IUPACN-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide
SMILESCOc1ccccc1N1CCN(/C(=N/c2cc(Cl)cc(Cl)c2)NC(C)=O)CC1
InChIInChI=1S/C20H22Cl2N4O2/c1-14(27)23-20(24-17-12-15(21)11-16(22)13-17)26-9-7-25(8-10-26)18-5-3-4-6-19(18)28-2/h3-6,11-13H,7-10H2,1-2H3,(H,23,24,27)
InChIKeyCSFJULMYURHCLS-UHFFFAOYSA-N
MW421.33 g/mol
LogP3.95
Rot. Bonds3

About N-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide

N-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide (PubChem CID 135736239) has the molecular formula C20H22Cl2N4O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is N-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide.

Molecular Properties

Compound NameN-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide
PubChem CID135736239
Molecular FormulaC20H22Cl2N4O2
Molecular Weight421.33 g/mol
Exact Mass420.11
IUPAC NameN-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide
SMILESCOc1ccccc1N1CCN(/C(=N/c2cc(Cl)cc(Cl)c2)NC(C)=O)CC1
InChIInChI=1S/C20H22Cl2N4O2/c1-14(27)23-20(24-17-12-15(21)11-16(22)13-17)26-9-7-25(8-10-26)18-5-3-4-6-19(18)28-2/h3-6,11-13H,7-10H2,1-2H3,(H,23,24,27)
InChIKeyCSFJULMYURHCLS-UHFFFAOYSA-N
XLogP3.95
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[C-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)carbonimidoyl]benzamide
CID 135951152
4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
CID 108910374
1-[3-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]ethanone
CID 110453058
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 1108322
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132
methyl 3-[[C-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]propanoate
CID 111133525
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 2204350
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
(E)-3-(3-chloro-4-methylphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 9335253
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701

Frequently Asked Questions

What is the IUPAC name of N-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide?
The IUPAC name of N-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide (CID 135736239) is N-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide.
What is the SMILES notation for N-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide?
The canonical SMILES for N-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide is COc1ccccc1N1CCN(/C(=N/c2cc(Cl)cc(Cl)c2)NC(C)=O)CC1.
What is the InChIKey of N-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide?
The InChIKey is CSFJULMYURHCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O2/c1-14(27)23-20(24-17-12-15(21)11-16(22)13-17)26-9-7-25(8-10-26)18-5-3-4-6-19(18)28-2/h3-6,11-13H,7-10H2,1-2H3,(H,23,24,27).
What are the key properties of N-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide?
N-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide has a molecular weight of 421.33 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(3,5-dichlorophenyl)-C-[4-(2-methoxyphenyl)piperazin-1-yl]carbonimidoyl]acetamide is sourced from PubChem (CID 135736239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).