CID 44819159

C16H17BrN2O2 — CID 44819159

IUPAC—
SMILESCN1CCC2(CCCC2=O)C12C(=O)Nc1ccc(Br)cc12
InChIInChI=1S/C16H17BrN2O2/c1-19-8-7-15(6-2-3-13(15)20)16(19)11-9-10(17)4-5-12(11)18-14(16)21/h4-5,9H,2-3,6-8H2,1H3,(H,18,21)
InChIKeyAUWOJXNFZDETSP-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.67
Rot. Bonds

About CID 44819159

CID 44819159 (PubChem CID 44819159) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol.

Molecular Properties

Compound NameCID 44819159
PubChem CID44819159
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name—
SMILESCN1CCC2(CCCC2=O)C12C(=O)Nc1ccc(Br)cc12
InChIInChI=1S/C16H17BrN2O2/c1-19-8-7-15(6-2-3-13(15)20)16(19)11-9-10(17)4-5-12(11)18-14(16)21/h4-5,9H,2-3,6-8H2,1H3,(H,18,21)
InChIKeyAUWOJXNFZDETSP-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 44819159?
The IUPAC name of CID 44819159 (CID 44819159) is not available.
What is the SMILES notation for CID 44819159?
The canonical SMILES for CID 44819159 is CN1CCC2(CCCC2=O)C12C(=O)Nc1ccc(Br)cc12.
What is the InChIKey of CID 44819159?
The InChIKey is AUWOJXNFZDETSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-19-8-7-15(6-2-3-13(15)20)16(19)11-9-10(17)4-5-12(11)18-14(16)21/h4-5,9H,2-3,6-8H2,1H3,(H,18,21).
What are the key properties of CID 44819159?
CID 44819159 has a molecular weight of 349.23 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 44819159 is sourced from PubChem (CID 44819159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).