(2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone

C21H22ClNO3 — CID 24725377

IUPAC(2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
SMILESO=C(c1ccccc1Cl)c1ccccc1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C21H22ClNO3/c22-19-8-4-3-7-18(19)20(24)17-6-2-1-5-16(17)15-23-11-9-21(10-12-23)25-13-14-26-21/h1-8H,9-15H2
InChIKeyMENXPWLPHGGFQX-UHFFFAOYSA-N
MW371.86 g/mol
LogP3.91
Rot. Bonds4

About (2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone

(2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone (PubChem CID 24725377) has the molecular formula C21H22ClNO3 and a molecular weight of 371.86 g/mol. Its IUPAC name is (2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
PubChem CID24725377
Molecular FormulaC21H22ClNO3
Molecular Weight371.86 g/mol
Exact Mass371.13
IUPAC Name(2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
SMILESO=C(c1ccccc1Cl)c1ccccc1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C21H22ClNO3/c22-19-8-4-3-7-18(19)20(24)17-6-2-1-5-16(17)15-23-11-9-21(10-12-23)25-13-14-26-21/h1-8H,9-15H2
InChIKeyMENXPWLPHGGFQX-UHFFFAOYSA-N
XLogP3.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
The IUPAC name of (2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone (CID 24725377) is (2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
The canonical SMILES for (2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone is O=C(c1ccccc1Cl)c1ccccc1CN1CCC2(CC1)OCCO2.
What is the InChIKey of (2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
The InChIKey is MENXPWLPHGGFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO3/c22-19-8-4-3-7-18(19)20(24)17-6-2-1-5-16(17)15-23-11-9-21(10-12-23)25-13-14-26-21/h1-8H,9-15H2.
What are the key properties of (2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone?
(2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone has a molecular weight of 371.86 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24725377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).