N-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide

C17H21FN2O3 — CID 91943104

IUPACN-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(C(=O)C(C)=Cc2ccc(F)cc2)CCO1
InChIInChI=1S/C17H21FN2O3/c1-12(9-14-3-5-15(18)6-4-14)17(22)20-7-8-23-16(11-20)10-19-13(2)21/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeyJFFMSZXLLLKRKG-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.59
Rot. Bonds4

About N-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide

N-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide (PubChem CID 91943104) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide
PubChem CID91943104
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC NameN-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(C(=O)C(C)=Cc2ccc(F)cc2)CCO1
InChIInChI=1S/C17H21FN2O3/c1-12(9-14-3-5-15(18)6-4-14)17(22)20-7-8-23-16(11-20)10-19-13(2)21/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeyJFFMSZXLLLKRKG-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide?
The IUPAC name of N-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide (CID 91943104) is N-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide is CC(=O)NCC1CN(C(=O)C(C)=Cc2ccc(F)cc2)CCO1.
What is the InChIKey of N-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide?
The InChIKey is JFFMSZXLLLKRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-12(9-14-3-5-15(18)6-4-14)17(22)20-7-8-23-16(11-20)10-19-13(2)21/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide?
N-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide has a molecular weight of 320.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(4-fluorophenyl)-2-methylprop-2-enoyl]morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 91943104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).