CID 166460765

C15H15BrF2N2O2 — CID 166460765

IUPAC—
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCC2(CC1)CC2(F)F
InChIInChI=1S/C15H15BrF2N2O2/c1-8-6-9(16)12(22)20-10(8)11(21)19-14(20)4-2-13(3-5-14)7-15(13,17)18/h6H,2-5,7H2,1H3,(H,19,21)
InChIKeyBZLHXTOCYFFJAV-UHFFFAOYSA-N
MW373.20 g/mol
LogP2.91
Rot. Bonds

About CID 166460765

CID 166460765 (PubChem CID 166460765) has the molecular formula C15H15BrF2N2O2 and a molecular weight of 373.20 g/mol.

Molecular Properties

Compound NameCID 166460765
PubChem CID166460765
Molecular FormulaC15H15BrF2N2O2
Molecular Weight373.20 g/mol
Exact Mass372.03
IUPAC Name—
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCC2(CC1)CC2(F)F
InChIInChI=1S/C15H15BrF2N2O2/c1-8-6-9(16)12(22)20-10(8)11(21)19-14(20)4-2-13(3-5-14)7-15(13,17)18/h6H,2-5,7H2,1H3,(H,19,21)
InChIKeyBZLHXTOCYFFJAV-UHFFFAOYSA-N
XLogP2.91
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 166460765?
The IUPAC name of CID 166460765 (CID 166460765) is not available.
What is the SMILES notation for CID 166460765?
The canonical SMILES for CID 166460765 is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCC2(CC1)CC2(F)F.
What is the InChIKey of CID 166460765?
The InChIKey is BZLHXTOCYFFJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2O2/c1-8-6-9(16)12(22)20-10(8)11(21)19-14(20)4-2-13(3-5-14)7-15(13,17)18/h6H,2-5,7H2,1H3,(H,19,21).
What are the key properties of CID 166460765?
CID 166460765 has a molecular weight of 373.20 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166460765 is sourced from PubChem (CID 166460765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).