N'-(2-chlorophenyl)-N-nonyloxamide

C17H25ClN2O2 — CID 126275868

IUPACN'-(2-chlorophenyl)-N-nonyloxamide
SMILESCCCCCCCCCNC(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H25ClN2O2/c1-2-3-4-5-6-7-10-13-19-16(21)17(22)20-15-12-9-8-11-14(15)18/h8-9,11-12H,2-7,10,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyLVGNEBNSSSMFBT-UHFFFAOYSA-N
MW324.85 g/mol
LogP4.15
Rot. Bonds9

About N'-(2-chlorophenyl)-N-nonyloxamide

N'-(2-chlorophenyl)-N-nonyloxamide (PubChem CID 126275868) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-nonyloxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-nonyloxamide
PubChem CID126275868
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN'-(2-chlorophenyl)-N-nonyloxamide
SMILESCCCCCCCCCNC(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H25ClN2O2/c1-2-3-4-5-6-7-10-13-19-16(21)17(22)20-15-12-9-8-11-14(15)18/h8-9,11-12H,2-7,10,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyLVGNEBNSSSMFBT-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 19651087
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N'-(2-cyanophenyl)-N-pentyloxamide
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N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
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N'-(4-chlorophenyl)-N-nonyloxamide
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N-(2-chlorophenyl)hexanamide
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Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-nonyloxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-nonyloxamide (CID 126275868) is N'-(2-chlorophenyl)-N-nonyloxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-nonyloxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-nonyloxamide is CCCCCCCCCNC(=O)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-nonyloxamide?
The InChIKey is LVGNEBNSSSMFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-2-3-4-5-6-7-10-13-19-16(21)17(22)20-15-12-9-8-11-14(15)18/h8-9,11-12H,2-7,10,13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-chlorophenyl)-N-nonyloxamide?
N'-(2-chlorophenyl)-N-nonyloxamide has a molecular weight of 324.85 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-nonyloxamide is sourced from PubChem (CID 126275868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).