CID 500314

C20H22ClNO — CID 500314

IUPAC—
SMILESOC([CH][CH]CN1CCCC1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO/c21-19-11-9-18(10-12-19)20(23,17-7-2-1-3-8-17)13-6-16-22-14-4-5-15-22/h1-3,6-13,23H,4-5,14-16H2
InChIKeyLMHBZTMEVJLJDC-UHFFFAOYSA-N
MW327.86 g/mol
LogP4.08
Rot. Bonds6

About CID 500314

CID 500314 (PubChem CID 500314) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol.

Molecular Properties

Compound NameCID 500314
PubChem CID500314
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name—
SMILESOC([CH][CH]CN1CCCC1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClNO/c21-19-11-9-18(10-12-19)20(23,17-7-2-1-3-8-17)13-6-16-22-14-4-5-15-22/h1-3,6-13,23H,4-5,14-16H2
InChIKeyLMHBZTMEVJLJDC-UHFFFAOYSA-N
XLogP4.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 500314?
The IUPAC name of CID 500314 (CID 500314) is not available.
What is the SMILES notation for CID 500314?
The canonical SMILES for CID 500314 is OC([CH][CH]CN1CCCC1)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of CID 500314?
The InChIKey is LMHBZTMEVJLJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO/c21-19-11-9-18(10-12-19)20(23,17-7-2-1-3-8-17)13-6-16-22-14-4-5-15-22/h1-3,6-13,23H,4-5,14-16H2.
What are the key properties of CID 500314?
CID 500314 has a molecular weight of 327.86 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 500314 is sourced from PubChem (CID 500314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).