1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide

C18H21FN2O5 — CID 3869012

IUPAC1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
SMILESCC(=O)c1ccc(OCC2CN(C(=O)C3(C(N)=O)CC3)CCO2)cc1F
InChIInChI=1S/C18H21FN2O5/c1-11(22)14-3-2-12(8-15(14)19)26-10-13-9-21(6-7-25-13)17(24)18(4-5-18)16(20)23/h2-3,8,13H,4-7,9-10H2,1H3,(H2,20,23)
InChIKeySBJOQUOXIMKJPX-UHFFFAOYSA-N
MW364.37 g/mol
LogP0.90
Rot. Bonds6

About 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide

1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide (PubChem CID 3869012) has the molecular formula C18H21FN2O5 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
PubChem CID3869012
Molecular FormulaC18H21FN2O5
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
SMILESCC(=O)c1ccc(OCC2CN(C(=O)C3(C(N)=O)CC3)CCO2)cc1F
InChIInChI=1S/C18H21FN2O5/c1-11(22)14-3-2-12(8-15(14)19)26-10-13-9-21(6-7-25-13)17(24)18(4-5-18)16(20)23/h2-3,8,13H,4-7,9-10H2,1H3,(H2,20,23)
InChIKeySBJOQUOXIMKJPX-UHFFFAOYSA-N
XLogP0.90
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide (CID 3869012) is 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide is CC(=O)c1ccc(OCC2CN(C(=O)C3(C(N)=O)CC3)CCO2)cc1F.
What is the InChIKey of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is SBJOQUOXIMKJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O5/c1-11(22)14-3-2-12(8-15(14)19)26-10-13-9-21(6-7-25-13)17(24)18(4-5-18)16(20)23/h2-3,8,13H,4-7,9-10H2,1H3,(H2,20,23).
What are the key properties of 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide?
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 3869012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).