N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide

C15H17Cl2F3N2O — CID 23117591

IUPACN-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide
SMILESC=CCC(CN(C)C(=O)C(F)(F)F)(NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H17Cl2F3N2O/c1-4-7-14(21-2,9-22(3)13(23)15(18,19)20)10-5-6-11(16)12(17)8-10/h4-6,8,21H,1,7,9H2,2-3H3
InChIKeyOZPULVYJAZVZQL-UHFFFAOYSA-N
MW369.21 g/mol
LogP4.00
Rot. Bonds6

About N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide

N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 23117591) has the molecular formula C15H17Cl2F3N2O and a molecular weight of 369.21 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID23117591
Molecular FormulaC15H17Cl2F3N2O
Molecular Weight369.21 g/mol
Exact Mass368.07
IUPAC NameN-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide
SMILESC=CCC(CN(C)C(=O)C(F)(F)F)(NC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H17Cl2F3N2O/c1-4-7-14(21-2,9-22(3)13(23)15(18,19)20)10-5-6-11(16)12(17)8-10/h4-6,8,21H,1,7,9H2,2-3H3
InChIKeyOZPULVYJAZVZQL-UHFFFAOYSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-(3,4-dichlorophenyl)ethyl)acetamide
CID 3686662
N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 2854245
Dodecanamide, N-(3,4-dichlorobenzyl)-
CID 59306
Acetamide, 2-chloro-N-(1-(3,4-dichlorophenyl)propyl)-
CID 218001
Acetamide, N-(1-(3,4-dichlorophenyl)propyl)-2-(diethylamino)-
CID 3039074
1-Pyrrolidineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-
CID 3039076
1-Piperidineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-
CID 3039077
1-Piperidineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-2-methyl-
CID 3039078
1-Piperidineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-3-methyl-
CID 3039079
1-Piperidineacetamide, N-(1-(3,4-dichlorophenyl)propyl)-4-methyl-
CID 3039080
2-(carbamoylamino)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 18168720
2-[acetyl(methyl)amino]-N-[1-(3,4-dichlorophenyl)cyclopropyl]acetamide
CID 47461259

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide (CID 23117591) is N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide is C=CCC(CN(C)C(=O)C(F)(F)F)(NC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is OZPULVYJAZVZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2F3N2O/c1-4-7-14(21-2,9-22(3)13(23)15(18,19)20)10-5-6-11(16)12(17)8-10/h4-6,8,21H,1,7,9H2,2-3H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide?
N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 369.21 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-2-(methylamino)pent-4-enyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 23117591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).