4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide

C14H18BrFN2O2 — CID 67385752

IUPAC4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCN(CCN1CCOCC1)C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H18BrFN2O2/c1-17(4-5-18-6-8-20-9-7-18)14(19)11-2-3-12(15)13(16)10-11/h2-3,10H,4-9H2,1H3
InChIKeyCDHBPHJYXQIYQT-UHFFFAOYSA-N
MW345.21 g/mol
LogP1.99
Rot. Bonds4

About 4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide

4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 67385752) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID67385752
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCN(CCN1CCOCC1)C(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H18BrFN2O2/c1-17(4-5-18-6-8-20-9-7-18)14(19)11-2-3-12(15)13(16)10-11/h2-3,10H,4-9H2,1H3
InChIKeyCDHBPHJYXQIYQT-UHFFFAOYSA-N
XLogP1.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide 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-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide (CID 67385752) is 4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide is CN(CCN1CCOCC1)C(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is CDHBPHJYXQIYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-17(4-5-18-6-8-20-9-7-18)14(19)11-2-3-12(15)13(16)10-11/h2-3,10H,4-9H2,1H3.
What are the key properties of 4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide?
4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 345.21 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-methyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 67385752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).