5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one

C18H22BrNO3 — CID 12941353

IUPAC5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2C(OCc3ccc(Br)cc3)CC1C2N1CCOCC1
InChIInChI=1S/C18H22BrNO3/c19-13-3-1-12(2-4-13)11-23-17-10-14-16(21)9-15(17)18(14)20-5-7-22-8-6-20/h1-4,14-15,17-18H,5-11H2
InChIKeyIDTMTLLNSOMWFK-UHFFFAOYSA-N
MW380.28 g/mol
LogP2.64
Rot. Bonds4

About 5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one

5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one (PubChem CID 12941353) has the molecular formula C18H22BrNO3 and a molecular weight of 380.28 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one
PubChem CID12941353
Molecular FormulaC18H22BrNO3
Molecular Weight380.28 g/mol
Exact Mass379.08
IUPAC Name5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2C(OCc3ccc(Br)cc3)CC1C2N1CCOCC1
InChIInChI=1S/C18H22BrNO3/c19-13-3-1-12(2-4-13)11-23-17-10-14-16(21)9-15(17)18(14)20-5-7-22-8-6-20/h1-4,14-15,17-18H,5-11H2
InChIKeyIDTMTLLNSOMWFK-UHFFFAOYSA-N
XLogP2.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one 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 5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of 5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one (CID 12941353) is 5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one is O=C1CC2C(OCc3ccc(Br)cc3)CC1C2N1CCOCC1.
What is the InChIKey of 5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one?
The InChIKey is IDTMTLLNSOMWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO3/c19-13-3-1-12(2-4-13)11-23-17-10-14-16(21)9-15(17)18(14)20-5-7-22-8-6-20/h1-4,14-15,17-18H,5-11H2.
What are the key properties of 5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one?
5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one has a molecular weight of 380.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 12941353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).