N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide

C18H18BrFN2O3S — CID 56552612

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide
SMILESC=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H18BrFN2O3S/c1-2-9-22(12-14-11-15(19)5-8-17(14)20)18(23)10-13-3-6-16(7-4-13)26(21,24)25/h2-8,11H,1,9-10,12H2,(H2,21,24,25)
InChIKeyMGCDUHPOPZIMRZ-UHFFFAOYSA-N
MW441.32 g/mol
LogP2.99
Rot. Bonds7

About N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56552612) has the molecular formula C18H18BrFN2O3S and a molecular weight of 441.32 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide
PubChem CID56552612
Molecular FormulaC18H18BrFN2O3S
Molecular Weight441.32 g/mol
Exact Mass440.02
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide
SMILESC=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H18BrFN2O3S/c1-2-9-22(12-14-11-15(19)5-8-17(14)20)18(23)10-13-3-6-16(7-4-13)26(21,24)25/h2-8,11H,1,9-10,12H2,(H2,21,24,25)
InChIKeyMGCDUHPOPZIMRZ-UHFFFAOYSA-N
XLogP2.99
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 52.99
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

N-benzyl-2-(3-bromo-4-fluorophenyl)-N-prop-2-enylacetamide
CID 55873125
(E)-N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide
CID 60611760
N-[(5-bromo-2-fluorophenyl)methyl]-3-[4-(dimethylsulfamoyl)phenyl]-N-prop-2-enylprop-2-enamide
CID 76879026
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide
CID 55586408
N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-thiomorpholin-3-ylacetamide
CID 119938340
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 119764011
(2S,4S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-N-prop-2-enylpiperidine-4-carboxamide
CID 120629500
2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide
CID 24699849
2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide
CID 55885893
2-[(5-bromo-2-fluorophenyl)methyl-prop-2-enylamino]propanoic acid
CID 119135107
1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-oxopiperidin-4-yl)-1-prop-2-enylurea
CID 167820044
N-[(5-bromo-2-fluorophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
CID 55594554

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide (CID 56552612) is N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide is C=CCN(Cc1cc(Br)ccc1F)C(=O)Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is MGCDUHPOPZIMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O3S/c1-2-9-22(12-14-11-15(19)5-8-17(14)20)18(23)10-13-3-6-16(7-4-13)26(21,24)25/h2-8,11H,1,9-10,12H2,(H2,21,24,25).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enyl-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 441.32 g/mol, XLogP of 2.99, 7 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-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56552612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).