N'-(3,5-dichlorophenyl)-N-pentyloxamide

C13H16Cl2N2O2 — CID 4625739

IUPACN'-(3,5-dichlorophenyl)-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-2-3-4-5-16-12(18)13(19)17-11-7-9(14)6-10(15)8-11/h6-8H,2-5H2,1H3,(H,16,18)(H,17,19)
InChIKeySTDYBOYTIYGPAA-UHFFFAOYSA-N
MW303.19 g/mol
LogP3.24
Rot. Bonds5

About N'-(3,5-dichlorophenyl)-N-pentyloxamide

N'-(3,5-dichlorophenyl)-N-pentyloxamide (PubChem CID 4625739) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)-N-pentyloxamide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)-N-pentyloxamide
PubChem CID4625739
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN'-(3,5-dichlorophenyl)-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-2-3-4-5-16-12(18)13(19)17-11-7-9(14)6-10(15)8-11/h6-8H,2-5H2,1H3,(H,16,18)(H,17,19)
InChIKeySTDYBOYTIYGPAA-UHFFFAOYSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.24
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'}

Analyze N'-(3,5-dichlorophenyl)-N-pentyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894
1-(3,5-dichlorophenyl)-3-pentylthiourea
CID 3716140
N-hexyl-N'-(3,4,5-trihydroxyphenyl)oxamide
CID 18983780
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536
N'-(3,5-dichlorophenyl)-N-(3-methylbutyl)oxamide
CID 4167970
N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide
CID 44999477
N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490812
N'-(2-chlorophenyl)-N-nonyloxamide
CID 126275868
N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
CID 47148084
N-(3,5-dichlorophenyl)nonanamide
CID 3459184
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N,N'-diheptyloxamide
CID 3417538

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)-N-pentyloxamide?
The IUPAC name of N'-(3,5-dichlorophenyl)-N-pentyloxamide (CID 4625739) is N'-(3,5-dichlorophenyl)-N-pentyloxamide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)-N-pentyloxamide?
The canonical SMILES for N'-(3,5-dichlorophenyl)-N-pentyloxamide is CCCCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N'-(3,5-dichlorophenyl)-N-pentyloxamide?
The InChIKey is STDYBOYTIYGPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-2-3-4-5-16-12(18)13(19)17-11-7-9(14)6-10(15)8-11/h6-8H,2-5H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(3,5-dichlorophenyl)-N-pentyloxamide?
N'-(3,5-dichlorophenyl)-N-pentyloxamide has a molecular weight of 303.19 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorophenyl)-N-pentyloxamide is sourced from PubChem (CID 4625739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).