CID 44819155

C17H19ClN2O2 — CID 44819155

IUPAC—
SMILESCN1CCC2(CCCCC2=O)C12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C17H19ClN2O2/c1-20-9-8-16(7-3-2-4-14(16)21)17(20)12-10-11(18)5-6-13(12)19-15(17)22/h5-6,10H,2-4,7-9H2,1H3,(H,19,22)
InChIKeyIZTBFQJYDHFGLO-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.95
Rot. Bonds

About CID 44819155

CID 44819155 (PubChem CID 44819155) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol.

Molecular Properties

Compound NameCID 44819155
PubChem CID44819155
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name—
SMILESCN1CCC2(CCCCC2=O)C12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C17H19ClN2O2/c1-20-9-8-16(7-3-2-4-14(16)21)17(20)12-10-11(18)5-6-13(12)19-15(17)22/h5-6,10H,2-4,7-9H2,1H3,(H,19,22)
InChIKeyIZTBFQJYDHFGLO-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 44819155?
The IUPAC name of CID 44819155 (CID 44819155) is not available.
What is the SMILES notation for CID 44819155?
The canonical SMILES for CID 44819155 is CN1CCC2(CCCCC2=O)C12C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of CID 44819155?
The InChIKey is IZTBFQJYDHFGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-20-9-8-16(7-3-2-4-14(16)21)17(20)12-10-11(18)5-6-13(12)19-15(17)22/h5-6,10H,2-4,7-9H2,1H3,(H,19,22).
What are the key properties of CID 44819155?
CID 44819155 has a molecular weight of 318.80 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 44819155 is sourced from PubChem (CID 44819155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).