N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide

C16H20BrFN2OS — CID 119938340

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide
SMILESC=CCN(Cc1cc(Br)ccc1F)C(=O)CC1CSCCN1
InChIInChI=1S/C16H20BrFN2OS/c1-2-6-20(10-12-8-13(17)3-4-15(12)18)16(21)9-14-11-22-7-5-19-14/h2-4,8,14,19H,1,5-7,9-11H2
InChIKeyUZPLOGUOSPVFQH-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.20
Rot. Bonds6

About N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide (PubChem CID 119938340) has the molecular formula C16H20BrFN2OS and a molecular weight of 387.32 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide
PubChem CID119938340
Molecular FormulaC16H20BrFN2OS
Molecular Weight387.32 g/mol
Exact Mass386.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide
SMILESC=CCN(Cc1cc(Br)ccc1F)C(=O)CC1CSCCN1
InChIInChI=1S/C16H20BrFN2OS/c1-2-6-20(10-12-8-13(17)3-4-15(12)18)16(21)9-14-11-22-7-5-19-14/h2-4,8,14,19H,1,5-7,9-11H2
InChIKeyUZPLOGUOSPVFQH-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-N-prop-2-enylpiperidine-4-carboxamide
CID 120629500
N-(3-bromo-4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 115746725
N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide
CID 56552612
1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-oxopiperidin-4-yl)-1-prop-2-enylurea
CID 167820044
N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 146134018
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 119764011
1-(3-bromophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586628
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421653
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 66422087
N-ethyl-N-(2-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 66422086
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide (CID 119938340) is N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide is C=CCN(Cc1cc(Br)ccc1F)C(=O)CC1CSCCN1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is UZPLOGUOSPVFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2OS/c1-2-6-20(10-12-8-13(17)3-4-15(12)18)16(21)9-14-11-22-7-5-19-14/h2-4,8,14,19H,1,5-7,9-11H2.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 387.32 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).