CID 166460724

C16H19BrN2O2 — CID 166460724

IUPAC—
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCCC2(CC2)CC1
InChIInChI=1S/C16H19BrN2O2/c1-10-9-11(17)14(21)19-12(10)13(20)18-16(19)4-2-3-15(5-6-15)7-8-16/h9H,2-8H2,1H3,(H,18,20)
InChIKeyKBPOFYITKHBZRH-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.06
Rot. Bonds

About CID 166460724

CID 166460724 (PubChem CID 166460724) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol.

Molecular Properties

Compound NameCID 166460724
PubChem CID166460724
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name—
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCCC2(CC2)CC1
InChIInChI=1S/C16H19BrN2O2/c1-10-9-11(17)14(21)19-12(10)13(20)18-16(19)4-2-3-15(5-6-15)7-8-16/h9H,2-8H2,1H3,(H,18,20)
InChIKeyKBPOFYITKHBZRH-UHFFFAOYSA-N
XLogP3.06
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 166460724?
The IUPAC name of CID 166460724 (CID 166460724) is not available.
What is the SMILES notation for CID 166460724?
The canonical SMILES for CID 166460724 is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCCC2(CC2)CC1.
What is the InChIKey of CID 166460724?
The InChIKey is KBPOFYITKHBZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-10-9-11(17)14(21)19-12(10)13(20)18-16(19)4-2-3-15(5-6-15)7-8-16/h9H,2-8H2,1H3,(H,18,20).
What are the key properties of CID 166460724?
CID 166460724 has a molecular weight of 351.24 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166460724 is sourced from PubChem (CID 166460724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).