2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide

C16H18Cl2N2O2 — CID 109131098

IUPAC2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CC1C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O2/c1-2-6-19-15(21)12-9-13(12)16(22)20-7-5-10-3-4-11(17)8-14(10)18/h2-4,8,12-13H,1,5-7,9H2,(H,19,21)(H,20,22)
InChIKeyRYLOSXDVFSIMRF-UHFFFAOYSA-N
MW341.24 g/mol
LogP2.59
Rot. Bonds7

About 2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide

2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide (PubChem CID 109131098) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is 2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide
PubChem CID109131098
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC Name2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide
SMILESC=CCNC(=O)C1CC1C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2O2/c1-2-6-19-15(21)12-9-13(12)16(22)20-7-5-10-3-4-11(17)8-14(10)18/h2-4,8,12-13H,1,5-7,9H2,(H,19,21)(H,20,22)
InChIKeyRYLOSXDVFSIMRF-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131873
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134542
N-[2-(2,4-dichlorophenyl)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133340
1-N-(4-chloro-2-methylphenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131132
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131188
4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341
1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131195
N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide
CID 110866286
4-N-cyclopropyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109144732
4-[2-(2,4-dichlorophenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 113103681
2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120551639
trans-(1R,2R)-N-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95625878

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide (CID 109131098) is 2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide is C=CCNC(=O)C1CC1C(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
The InChIKey is RYLOSXDVFSIMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c1-2-6-19-15(21)12-9-13(12)16(22)20-7-5-10-3-4-11(17)8-14(10)18/h2-4,8,12-13H,1,5-7,9H2,(H,19,21)(H,20,22).
What are the key properties of 2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide?
2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide has a molecular weight of 341.24 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-prop-2-enylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).