1-(5-amino-2-bromophenyl)undecan-1-one

C17H26BrNO — CID 116602809

IUPAC1-(5-amino-2-bromophenyl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C17H26BrNO/c1-2-3-4-5-6-7-8-9-10-17(20)15-13-14(19)11-12-16(15)18/h11-13H,2-10,19H2,1H3
InChIKeyMXHSDLBXQOKHNE-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.74
Rot. Bonds10

About 1-(5-amino-2-bromophenyl)undecan-1-one

1-(5-amino-2-bromophenyl)undecan-1-one (PubChem CID 116602809) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(5-amino-2-bromophenyl)undecan-1-one.

Molecular Properties

Compound Name1-(5-amino-2-bromophenyl)undecan-1-one
PubChem CID116602809
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-(5-amino-2-bromophenyl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C17H26BrNO/c1-2-3-4-5-6-7-8-9-10-17(20)15-13-14(19)11-12-16(15)18/h11-13H,2-10,19H2,1H3
InChIKeyMXHSDLBXQOKHNE-UHFFFAOYSA-N
XLogP5.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-2-chlorophenyl)dodecan-1-one
CID 65426442
1-(5-amino-2-bromophenyl)-4,4-dimethylpentan-1-one
CID 116602750
1-(5-amino-2-bromophenyl)hex-5-yn-1-one
CID 116602831
1-(5-amino-2-bromophenyl)-3-methylsulfonylpropan-1-one
CID 116602931
1-(2-amino-4-bromophenyl)undecan-1-one
CID 116591772
1-(2-bromo-5-chlorophenyl)pentan-1-one
CID 83988325
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239
1-(2-bromo-4-methylphenyl)heptan-1-one
CID 114966698
1-(2-amino-5-methylphenyl)nonan-1-one
CID 116581263
1-(4-amino-3-bromophenyl)decan-1-one
CID 65426067
1-[5-bromo-2-(4-bromo-2-undecanoylphenyl)phenyl]undecan-1-one
CID 69436336

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-bromophenyl)undecan-1-one?
The IUPAC name of 1-(5-amino-2-bromophenyl)undecan-1-one (CID 116602809) is 1-(5-amino-2-bromophenyl)undecan-1-one.
What is the SMILES notation for 1-(5-amino-2-bromophenyl)undecan-1-one?
The canonical SMILES for 1-(5-amino-2-bromophenyl)undecan-1-one is CCCCCCCCCCC(=O)c1cc(N)ccc1Br.
What is the InChIKey of 1-(5-amino-2-bromophenyl)undecan-1-one?
The InChIKey is MXHSDLBXQOKHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-2-3-4-5-6-7-8-9-10-17(20)15-13-14(19)11-12-16(15)18/h11-13H,2-10,19H2,1H3.
What are the key properties of 1-(5-amino-2-bromophenyl)undecan-1-one?
1-(5-amino-2-bromophenyl)undecan-1-one has a molecular weight of 340.31 g/mol, XLogP of 5.74, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-bromophenyl)undecan-1-one is sourced from PubChem (CID 116602809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).