1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one

C13H16BrNO2 — CID 117480032

IUPAC1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one
SMILESCC(=O)Cc1ccc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C13H16BrNO2/c1-10(16)8-11-2-3-13(12(14)9-11)15-4-6-17-7-5-15/h2-3,9H,4-8H2,1H3
InChIKeyRDURCGYNTDFRLT-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.42
Rot. Bonds3

About 1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one

1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one (PubChem CID 117480032) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one
PubChem CID117480032
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one
SMILESCC(=O)Cc1ccc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C13H16BrNO2/c1-10(16)8-11-2-3-13(12(14)9-11)15-4-6-17-7-5-15/h2-3,9H,4-8H2,1H3
InChIKeyRDURCGYNTDFRLT-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-pyrrolidin-1-ylphenyl)propan-2-one
CID 117453199
2-(3-bromo-4-piperidin-1-ylphenyl)acetic acid
CID 117480207
N-(3-bromo-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 17220722
1-(3-amino-5-morpholin-4-ylphenyl)propan-2-one
CID 59631041
N-(4-acetamido-2-morpholin-4-ylphenyl)-2-(4-bromophenyl)acetamide
CID 30490824
1-(3-bromo-4-morpholin-4-ylphenyl)ethanamine
CID 62908814
5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-morpholin-4-ylbenzoic acid
CID 161349189
2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide
CID 17220671
1-[3-bromo-4-(1-methylpiperidin-4-yl)phenyl]propan-2-one
CID 117495014
methyl 1-(3-bromo-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50878841
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(4-fluorophenyl)acetamide
CID 55363743
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 17220794

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one?
The IUPAC name of 1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one (CID 117480032) is 1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one?
The canonical SMILES for 1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one is CC(=O)Cc1ccc(N2CCOCC2)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one?
The InChIKey is RDURCGYNTDFRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-10(16)8-11-2-3-13(12(14)9-11)15-4-6-17-7-5-15/h2-3,9H,4-8H2,1H3.
What are the key properties of 1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one?
1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one has a molecular weight of 298.18 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-morpholin-4-ylphenyl)propan-2-one is sourced from PubChem (CID 117480032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).