2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide

C20H19ClFNO4 — CID 165014363

IUPAC2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide
SMILESCc1oc(C(=O)C(=O)NC2CCCC2)cc1C(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H19ClFNO4/c1-11-14(17(24)9-12-6-7-16(22)15(21)8-12)10-18(27-11)19(25)20(26)23-13-4-2-3-5-13/h6-8,10,13H,2-5,9H2,1H3,(H,23,26)
InChIKeyKENWLMJDBIRTLD-UHFFFAOYSA-N
MW391.83 g/mol
LogP4.05
Rot. Bonds6

About 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide

2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide (PubChem CID 165014363) has the molecular formula C20H19ClFNO4 and a molecular weight of 391.83 g/mol. Its IUPAC name is 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide
PubChem CID165014363
Molecular FormulaC20H19ClFNO4
Molecular Weight391.83 g/mol
Exact Mass391.10
IUPAC Name2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide
SMILESCc1oc(C(=O)C(=O)NC2CCCC2)cc1C(=O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H19ClFNO4/c1-11-14(17(24)9-12-6-7-16(22)15(21)8-12)10-18(27-11)19(25)20(26)23-13-4-2-3-5-13/h6-8,10,13H,2-5,9H2,1H3,(H,23,26)
InChIKeyKENWLMJDBIRTLD-UHFFFAOYSA-N
XLogP4.05
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide?
The IUPAC name of 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide (CID 165014363) is 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide.
What is the SMILES notation for 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide?
The canonical SMILES for 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide is Cc1oc(C(=O)C(=O)NC2CCCC2)cc1C(=O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide?
The InChIKey is KENWLMJDBIRTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFNO4/c1-11-14(17(24)9-12-6-7-16(22)15(21)8-12)10-18(27-11)19(25)20(26)23-13-4-2-3-5-13/h6-8,10,13H,2-5,9H2,1H3,(H,23,26).
What are the key properties of 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide?
2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide has a molecular weight of 391.83 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-chloro-4-fluorophenyl)acetyl]-5-methylfuran-2-yl]-N-cyclopentyl-2-oxoacetamide is sourced from PubChem (CID 165014363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).