N-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide

C18H30ClFN2O4 — CID 145398903

IUPACN-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide
SMILESC=C(CC)NC(=O)COC1CCC(Cl)C(F)C1.CNC(=O)C1CCOC1
InChIInChI=1S/C12H19ClFNO2.C6H11NO2/c1-3-8(2)15-12(16)7-17-9-4-5-10(13)11(14)6-9;1-7-6(8)5-2-3-9-4-5/h9-11H,2-7H2,1H3,(H,15,16);5H,2-4H2,1H3,(H,7,8)
InChIKeyRUXLAJVCZBQSQT-UHFFFAOYSA-N
MW392.90 g/mol
LogP2.31
Rot. Bonds6

About N-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide

N-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide (PubChem CID 145398903) has the molecular formula C18H30ClFN2O4 and a molecular weight of 392.90 g/mol. Its IUPAC name is N-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide
PubChem CID145398903
Molecular FormulaC18H30ClFN2O4
Molecular Weight392.90 g/mol
Exact Mass392.19
IUPAC NameN-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide
SMILESC=C(CC)NC(=O)COC1CCC(Cl)C(F)C1.CNC(=O)C1CCOC1
InChIInChI=1S/C12H19ClFNO2.C6H11NO2/c1-3-8(2)15-12(16)7-17-9-4-5-10(13)11(14)6-9;1-7-6(8)5-2-3-9-4-5/h9-11H,2-7H2,1H3,(H,15,16);5H,2-4H2,1H3,(H,7,8)
InChIKeyRUXLAJVCZBQSQT-UHFFFAOYSA-N
XLogP2.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.90
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide?
The IUPAC name of N-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide (CID 145398903) is N-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide?
The canonical SMILES for N-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide is C=C(CC)NC(=O)COC1CCC(Cl)C(F)C1.CNC(=O)C1CCOC1.
What is the InChIKey of N-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide?
The InChIKey is RUXLAJVCZBQSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClFNO2.C6H11NO2/c1-3-8(2)15-12(16)7-17-9-4-5-10(13)11(14)6-9;1-7-6(8)5-2-3-9-4-5/h9-11H,2-7H2,1H3,(H,15,16);5H,2-4H2,1H3,(H,7,8).
What are the key properties of N-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide?
N-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide has a molecular weight of 392.90 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-2-(4-chloro-3-fluorocyclohexyl)oxyacetamide;N-methyloxolane-3-carboxamide is sourced from PubChem (CID 145398903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).