N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide

C21H24ClN3O2 — CID 108985822

IUPACN-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H24ClN3O2/c22-17-6-4-16(5-7-17)12-13-23-20(26)21(27)24-18-8-10-19(11-9-18)25-14-2-1-3-15-25/h4-11H,1-3,12-15H2,(H,23,26)(H,24,27)
InChIKeyHTADCGWLHMOZFF-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.63
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide

N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide (PubChem CID 108985822) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
PubChem CID108985822
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H24ClN3O2/c22-17-6-4-16(5-7-17)12-13-23-20(26)21(27)24-18-8-10-19(11-9-18)25-14-2-1-3-15-25/h4-11H,1-3,12-15H2,(H,23,26)(H,24,27)
InChIKeyHTADCGWLHMOZFF-UHFFFAOYSA-N
XLogP3.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108507754
N'-(3-chlorophenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891562
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
N'-(3-chloro-4-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892340
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-N'-(2-chlorophenyl)oxamide
CID 16891452
N'-(4-ethoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891570
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892318
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985263
N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985809
N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108505148

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide (CID 108985822) is N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide is O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide?
The InChIKey is HTADCGWLHMOZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-17-6-4-16(5-7-17)12-13-23-20(26)21(27)24-18-8-10-19(11-9-18)25-14-2-1-3-15-25/h4-11H,1-3,12-15H2,(H,23,26)(H,24,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide?
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide has a molecular weight of 385.90 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide is sourced from PubChem (CID 108985822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).