N'-(4-chlorophenyl)-N-nonyloxamide

C17H25ClN2O2 — CID 124542894

IUPACN'-(4-chlorophenyl)-N-nonyloxamide
SMILESCCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-2-3-4-5-6-7-8-13-19-16(21)17(22)20-15-11-9-14(18)10-12-15/h9-12H,2-8,13H2,1H3,(H,19,21)(H,20,22)
InChIKeySJPFJIJCFFGOLA-UHFFFAOYSA-N
MW324.85 g/mol
LogP4.15
Rot. Bonds9

About N'-(4-chlorophenyl)-N-nonyloxamide

N'-(4-chlorophenyl)-N-nonyloxamide (PubChem CID 124542894) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-nonyloxamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-nonyloxamide
PubChem CID124542894
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN'-(4-chlorophenyl)-N-nonyloxamide
SMILESCCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O2/c1-2-3-4-5-6-7-8-13-19-16(21)17(22)20-15-11-9-14(18)10-12-15/h9-12H,2-8,13H2,1H3,(H,19,21)(H,20,22)
InChIKeySJPFJIJCFFGOLA-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

1-(4-chlorophenyl)-3-undecylurea
CID 3711116
N'-(3,5-dichlorophenyl)-N-pentyloxamide
CID 4625739
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536
N'-(4-butoxyphenyl)-N-heptyloxamide
CID 17201915
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N'-(4-ethoxyphenyl)-N-nonyloxamide
CID 124529979
N-octyl-N'-[4-[[4-(2-oxopropanoylamino)phenyl]methyl]phenyl]oxamide
CID 135298855
N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
CID 47148084
N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide
CID 18983780
N-pentyl-N'-(4-propoxyphenyl)oxamide
CID 124624768
N-butyl-N'-phenyloxamide
CID 2290889
N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide
CID 44999477

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-nonyloxamide?
The IUPAC name of N'-(4-chlorophenyl)-N-nonyloxamide (CID 124542894) is N'-(4-chlorophenyl)-N-nonyloxamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-nonyloxamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-nonyloxamide is CCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-nonyloxamide?
The InChIKey is SJPFJIJCFFGOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-2-3-4-5-6-7-8-13-19-16(21)17(22)20-15-11-9-14(18)10-12-15/h9-12H,2-8,13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-chlorophenyl)-N-nonyloxamide?
N'-(4-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'-(4-chlorophenyl)-N-nonyloxamide is sourced from PubChem (CID 124542894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).