2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide

C15H20Cl2N2O — CID 2573331

IUPAC2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide
SMILESO=C(CN1CCCCCCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c16-12-7-6-8-13(15(12)17)18-14(20)11-19-9-4-2-1-3-5-10-19/h6-8H,1-5,9-11H2,(H,18,20)
InChIKeyCIBWNMXBMMCBRR-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.20
Rot. Bonds3

About 2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide

2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide (PubChem CID 2573331) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide
PubChem CID2573331
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide
SMILESO=C(CN1CCCCCCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c16-12-7-6-8-13(15(12)17)18-14(20)11-19-9-4-2-1-3-5-10-19/h6-8H,1-5,9-11H2,(H,18,20)
InChIKeyCIBWNMXBMMCBRR-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide (CID 2573331) is 2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide is O=C(CN1CCCCCCC1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is CIBWNMXBMMCBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c16-12-7-6-8-13(15(12)17)18-14(20)11-19-9-4-2-1-3-5-10-19/h6-8H,1-5,9-11H2,(H,18,20).
What are the key properties of 2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide?
2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 315.24 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 2573331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).