N-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide

C13H14Cl2N2O2 — CID 2193317

IUPACN-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C13H14Cl2N2O2/c14-8-5-9(15)7-11(6-8)17-13(19)12(18)16-10-3-1-2-4-10/h5-7,10H,1-4H2,(H,16,18)(H,17,19)
InChIKeyJGVXDBLVBPZXOR-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.99
Rot. Bonds2

About N-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide

N-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide (PubChem CID 2193317) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is N-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide
PubChem CID2193317
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC NameN-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)C(=O)NC1CCCC1
InChIInChI=1S/C13H14Cl2N2O2/c14-8-5-9(15)7-11(6-8)17-13(19)12(18)16-10-3-1-2-4-10/h5-7,10H,1-4H2,(H,16,18)(H,17,19)
InChIKeyJGVXDBLVBPZXOR-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide?
The IUPAC name of N-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide (CID 2193317) is N-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide.
What is the SMILES notation for N-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide?
The canonical SMILES for N-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide is O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide?
The InChIKey is JGVXDBLVBPZXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c14-8-5-9(15)7-11(6-8)17-13(19)12(18)16-10-3-1-2-4-10/h5-7,10H,1-4H2,(H,16,18)(H,17,19).
What are the key properties of N-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide?
N-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide has a molecular weight of 301.17 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(3,5-dichlorophenyl)oxamide is sourced from PubChem (CID 2193317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).