4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide

C21H22ClNO2 — CID 122276222

IUPAC4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
SMILESO=C(NC1CCC12CCOCC2)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H22ClNO2/c22-18-3-1-2-17(14-18)15-4-6-16(7-5-15)20(24)23-19-8-9-21(19)10-12-25-13-11-21/h1-7,14,19H,8-13H2,(H,23,24)
InChIKeyUDFWQWUIDJKGGZ-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.70
Rot. Bonds3

About 4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide

4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide (PubChem CID 122276222) has the molecular formula C21H22ClNO2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
PubChem CID122276222
Molecular FormulaC21H22ClNO2
Molecular Weight355.87 g/mol
Exact Mass355.13
IUPAC Name4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
SMILESO=C(NC1CCC12CCOCC2)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H22ClNO2/c22-18-3-1-2-17(14-18)15-4-6-16(7-5-15)20(24)23-19-8-9-21(19)10-12-25-13-11-21/h1-7,14,19H,8-13H2,(H,23,24)
InChIKeyUDFWQWUIDJKGGZ-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide (CID 122276222) is 4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide is O=C(NC1CCC12CCOCC2)c1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
The InChIKey is UDFWQWUIDJKGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO2/c22-18-3-1-2-17(14-18)15-4-6-16(7-5-15)20(24)23-19-8-9-21(19)10-12-25-13-11-21/h1-7,14,19H,8-13H2,(H,23,24).
What are the key properties of 4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide?
4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide has a molecular weight of 355.87 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide is sourced from PubChem (CID 122276222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).