5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide

C17H19ClN2O2 — CID 155568013

IUPAC5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide
SMILESNOC(CCCC(=O)Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2/c18-14-7-4-6-13(12-14)16(22-19)10-5-11-17(21)20-15-8-2-1-3-9-15/h1-4,6-9,12,16H,5,10-11,19H2,(H,20,21)
InChIKeyMQZXPUVUSFHKGT-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.08
Rot. Bonds7

About 5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide

5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide (PubChem CID 155568013) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide.

Molecular Properties

Compound Name5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide
PubChem CID155568013
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide
SMILESNOC(CCCC(=O)Nc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2/c18-14-7-4-6-13(12-14)16(22-19)10-5-11-17(21)20-15-8-2-1-3-9-15/h1-4,6-9,12,16H,5,10-11,19H2,(H,20,21)
InChIKeyMQZXPUVUSFHKGT-UHFFFAOYSA-N
XLogP4.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide?
The IUPAC name of 5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide (CID 155568013) is 5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide.
What is the SMILES notation for 5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide?
The canonical SMILES for 5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide is NOC(CCCC(=O)Nc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide?
The InChIKey is MQZXPUVUSFHKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-14-7-4-6-13(12-14)16(22-19)10-5-11-17(21)20-15-8-2-1-3-9-15/h1-4,6-9,12,16H,5,10-11,19H2,(H,20,21).
What are the key properties of 5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide?
5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide has a molecular weight of 318.80 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminooxy-5-(3-chlorophenyl)-N-phenylpentanamide is sourced from PubChem (CID 155568013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).