CID 166460718

C15H17BrN2O2 — CID 166460718

IUPAC—
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCC2(CCC2)C1
InChIInChI=1S/C15H17BrN2O2/c1-9-7-10(16)13(20)18-11(9)12(19)17-15(18)6-5-14(8-15)3-2-4-14/h7H,2-6,8H2,1H3,(H,17,19)
InChIKeyXGQNZGUIPACLQU-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.67
Rot. Bonds

About CID 166460718

CID 166460718 (PubChem CID 166460718) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol.

Molecular Properties

Compound NameCID 166460718
PubChem CID166460718
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name—
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCC2(CCC2)C1
InChIInChI=1S/C15H17BrN2O2/c1-9-7-10(16)13(20)18-11(9)12(19)17-15(18)6-5-14(8-15)3-2-4-14/h7H,2-6,8H2,1H3,(H,17,19)
InChIKeyXGQNZGUIPACLQU-UHFFFAOYSA-N
XLogP2.67
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
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 166460718?
The IUPAC name of CID 166460718 (CID 166460718) is not available.
What is the SMILES notation for CID 166460718?
The canonical SMILES for CID 166460718 is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCC2(CCC2)C1.
What is the InChIKey of CID 166460718?
The InChIKey is XGQNZGUIPACLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9-7-10(16)13(20)18-11(9)12(19)17-15(18)6-5-14(8-15)3-2-4-14/h7H,2-6,8H2,1H3,(H,17,19).
What are the key properties of CID 166460718?
CID 166460718 has a molecular weight of 337.22 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 166460718 is sourced from PubChem (CID 166460718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).