1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone

C16H21BrN2O3 — CID 3508395

IUPAC1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone
SMILESO=C(c1ccc(Br)cc1)C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H21BrN2O3/c17-14-3-1-13(2-4-14)15(20)16(18-5-9-21-10-6-18)19-7-11-22-12-8-19/h1-4,16H,5-12H2
InChIKeyHFOXAKMXDPVQNT-UHFFFAOYSA-N
MW369.26 g/mol
LogP1.62
Rot. Bonds4

About 1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone

1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone (PubChem CID 3508395) has the molecular formula C16H21BrN2O3 and a molecular weight of 369.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone
PubChem CID3508395
Molecular FormulaC16H21BrN2O3
Molecular Weight369.26 g/mol
Exact Mass368.07
IUPAC Name1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone
SMILESO=C(c1ccc(Br)cc1)C(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H21BrN2O3/c17-14-3-1-13(2-4-14)15(20)16(18-5-9-21-10-6-18)19-7-11-22-12-8-19/h1-4,16H,5-12H2
InChIKeyHFOXAKMXDPVQNT-UHFFFAOYSA-N
XLogP1.62
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone?
The IUPAC name of 1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone (CID 3508395) is 1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone?
The canonical SMILES for 1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone is O=C(c1ccc(Br)cc1)C(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone?
The InChIKey is HFOXAKMXDPVQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O3/c17-14-3-1-13(2-4-14)15(20)16(18-5-9-21-10-6-18)19-7-11-22-12-8-19/h1-4,16H,5-12H2.
What are the key properties of 1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone?
1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone has a molecular weight of 369.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,2-dimorpholin-4-ylethanone is sourced from PubChem (CID 3508395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).