CID 166460716

C16H19BrN2O2 — CID 166460716

IUPAC—
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCC2(CCC2)CC1
InChIInChI=1S/C16H19BrN2O2/c1-10-9-11(17)14(21)19-12(10)13(20)18-16(19)7-5-15(6-8-16)3-2-4-15/h9H,2-8H2,1H3,(H,18,20)
InChIKeyPXCPFQGEODPOHD-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.06
Rot. Bonds

About CID 166460716

CID 166460716 (PubChem CID 166460716) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol.

Molecular Properties

Compound NameCID 166460716
PubChem CID166460716
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name—
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCC2(CCC2)CC1
InChIInChI=1S/C16H19BrN2O2/c1-10-9-11(17)14(21)19-12(10)13(20)18-16(19)7-5-15(6-8-16)3-2-4-15/h9H,2-8H2,1H3,(H,18,20)
InChIKeyPXCPFQGEODPOHD-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 166460716?
The IUPAC name of CID 166460716 (CID 166460716) is not available.
What is the SMILES notation for CID 166460716?
The canonical SMILES for CID 166460716 is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCC2(CCC2)CC1.
What is the InChIKey of CID 166460716?
The InChIKey is PXCPFQGEODPOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-10-9-11(17)14(21)19-12(10)13(20)18-16(19)7-5-15(6-8-16)3-2-4-15/h9H,2-8H2,1H3,(H,18,20).
What are the key properties of CID 166460716?
CID 166460716 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 166460716 is sourced from PubChem (CID 166460716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).