2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide

C14H18BrFN2O2 — CID 49093492

IUPAC2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
SMILESCN1CCOC(CNC(=O)Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C14H18BrFN2O2/c1-18-4-5-20-11(9-18)8-17-14(19)7-10-2-3-13(16)12(15)6-10/h2-3,6,11H,4-5,7-9H2,1H3,(H,17,19)
InChIKeyKQMSCKCQOVYDGZ-UHFFFAOYSA-N
MW345.21 g/mol
LogP1.58
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide

2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide (PubChem CID 49093492) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
PubChem CID49093492
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
SMILESCN1CCOC(CNC(=O)Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C14H18BrFN2O2/c1-18-4-5-20-11(9-18)8-17-14(19)7-10-2-3-13(16)12(15)6-10/h2-3,6,11H,4-5,7-9H2,1H3,(H,17,19)
InChIKeyKQMSCKCQOVYDGZ-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide (CID 49093492) is 2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide is CN1CCOC(CNC(=O)Cc2ccc(F)c(Br)c2)C1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
The InChIKey is KQMSCKCQOVYDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-18-4-5-20-11(9-18)8-17-14(19)7-10-2-3-13(16)12(15)6-10/h2-3,6,11H,4-5,7-9H2,1H3,(H,17,19).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide?
2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide has a molecular weight of 345.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide is sourced from PubChem (CID 49093492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).