4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide

C14H18BrFN2O2 — CID 83102780

IUPAC4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1Cc1ccc(Br)cc1F
InChIInChI=1S/C14H18BrFN2O2/c1-2-17-14(19)13-9-20-6-5-18(13)8-10-3-4-11(15)7-12(10)16/h3-4,7,13H,2,5-6,8-9H2,1H3,(H,17,19)
InChIKeyOSRJMUFBORPNDI-UHFFFAOYSA-N
MW345.21 g/mol
LogP1.93
Rot. Bonds4

About 4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide

4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83102780) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83102780
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1Cc1ccc(Br)cc1F
InChIInChI=1S/C14H18BrFN2O2/c1-2-17-14(19)13-9-20-6-5-18(13)8-10-3-4-11(15)7-12(10)16/h3-4,7,13H,2,5-6,8-9H2,1H3,(H,17,19)
InChIKeyOSRJMUFBORPNDI-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-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 4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide (CID 83102780) is 4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1Cc1ccc(Br)cc1F.
What is the InChIKey of 4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is OSRJMUFBORPNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-2-17-14(19)13-9-20-6-5-18(13)8-10-3-4-11(15)7-12(10)16/h3-4,7,13H,2,5-6,8-9H2,1H3,(H,17,19).
What are the key properties of 4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide?
4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 345.21 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83102780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).