CID 167283553

C14H13BrF2N2O2 — CID 167283553

IUPAC—
SMILESO=C1NC2(CCC3(CC2)CC3(F)F)n2c1ccc(Br)c2=O
InChIInChI=1S/C14H13BrF2N2O2/c15-8-1-2-9-10(20)18-13(19(9)11(8)21)5-3-12(4-6-13)7-14(12,16)17/h1-2H,3-7H2,(H,18,20)
InChIKeyXDGAJSLWRCQAGU-UHFFFAOYSA-N
MW359.17 g/mol
LogP2.61
Rot. Bonds

About CID 167283553

CID 167283553 (PubChem CID 167283553) has the molecular formula C14H13BrF2N2O2 and a molecular weight of 359.17 g/mol.

Molecular Properties

Compound NameCID 167283553
PubChem CID167283553
Molecular FormulaC14H13BrF2N2O2
Molecular Weight359.17 g/mol
Exact Mass358.01
IUPAC Name—
SMILESO=C1NC2(CCC3(CC2)CC3(F)F)n2c1ccc(Br)c2=O
InChIInChI=1S/C14H13BrF2N2O2/c15-8-1-2-9-10(20)18-13(19(9)11(8)21)5-3-12(4-6-13)7-14(12,16)17/h1-2H,3-7H2,(H,18,20)
InChIKeyXDGAJSLWRCQAGU-UHFFFAOYSA-N
XLogP2.61
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 167283553?
The IUPAC name of CID 167283553 (CID 167283553) is not available.
What is the SMILES notation for CID 167283553?
The canonical SMILES for CID 167283553 is O=C1NC2(CCC3(CC2)CC3(F)F)n2c1ccc(Br)c2=O.
What is the InChIKey of CID 167283553?
The InChIKey is XDGAJSLWRCQAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2O2/c15-8-1-2-9-10(20)18-13(19(9)11(8)21)5-3-12(4-6-13)7-14(12,16)17/h1-2H,3-7H2,(H,18,20).
What are the key properties of CID 167283553?
CID 167283553 has a molecular weight of 359.17 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167283553 is sourced from PubChem (CID 167283553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).