2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C19H26BrFN2O3 — CID 4793803

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(F)cc1Br)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H26BrFN2O3/c20-16-12-15(21)4-5-17(16)26-13-18(24)22-14-19(6-2-1-3-7-19)23-8-10-25-11-9-23/h4-5,12H,1-3,6-11,13-14H2,(H,22,24)
InChIKeyGDPBANLHVZJFQB-UHFFFAOYSA-N
MW429.33 g/mol
LogP3.12
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 4793803) has the molecular formula C19H26BrFN2O3 and a molecular weight of 429.33 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID4793803
Molecular FormulaC19H26BrFN2O3
Molecular Weight429.33 g/mol
Exact Mass428.11
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(F)cc1Br)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H26BrFN2O3/c20-16-12-15(21)4-5-17(16)26-13-18(24)22-14-19(6-2-1-3-7-19)23-8-10-25-11-9-23/h4-5,12H,1-3,6-11,13-14H2,(H,22,24)
InChIKeyGDPBANLHVZJFQB-UHFFFAOYSA-N
XLogP3.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 4793803) is 2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is O=C(COc1ccc(F)cc1Br)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is GDPBANLHVZJFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrFN2O3/c20-16-12-15(21)4-5-17(16)26-13-18(24)22-14-19(6-2-1-3-7-19)23-8-10-25-11-9-23/h4-5,12H,1-3,6-11,13-14H2,(H,22,24).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 429.33 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 4793803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).