N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-carboxamide

C15H18BrFN2O2 — CID 119764027

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-carboxamide
SMILESC=CCN(Cc1cc(Br)ccc1F)C(=O)C1CNCCO1
InChIInChI=1S/C15H18BrFN2O2/c1-2-6-19(15(20)14-9-18-5-7-21-14)10-11-8-12(16)3-4-13(11)17/h2-4,8,14,18H,1,5-7,9-10H2
InChIKeyNSKJQRXWYUYXFK-UHFFFAOYSA-N
MW357.22 g/mol
LogP2.09
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-carboxamide (PubChem CID 119764027) has the molecular formula C15H18BrFN2O2 and a molecular weight of 357.22 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-carboxamide
PubChem CID119764027
Molecular FormulaC15H18BrFN2O2
Molecular Weight357.22 g/mol
Exact Mass356.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-carboxamide
SMILESC=CCN(Cc1cc(Br)ccc1F)C(=O)C1CNCCO1
InChIInChI=1S/C15H18BrFN2O2/c1-2-6-19(15(20)14-9-18-5-7-21-14)10-11-8-12(16)3-4-13(11)17/h2-4,8,14,18H,1,5-7,9-10H2
InChIKeyNSKJQRXWYUYXFK-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-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 N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-carboxamide (CID 119764027) is N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-carboxamide is C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CNCCO1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-carboxamide?
The InChIKey is NSKJQRXWYUYXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O2/c1-2-6-19(15(20)14-9-18-5-7-21-14)10-11-8-12(16)3-4-13(11)17/h2-4,8,14,18H,1,5-7,9-10H2.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-prop-2-enylmorpholine-2-carboxamide has a molecular weight of 357.22 g/mol, XLogP of 2.09, 5 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-enylmorpholine-2-carboxamide is sourced from PubChem (CID 119764027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).