N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide

C19H19F2N3O2 — CID 108527766

IUPACN'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H19F2N3O2/c20-13-4-9-16(21)17(12-13)23-19(26)18(25)22-14-5-7-15(8-6-14)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11H2,(H,22,25)(H,23,26)
InChIKeyUQSQBODLKAGDCN-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.53
Rot. Bonds3

About N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide

N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide (PubChem CID 108527766) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide
PubChem CID108527766
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC NameN'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C19H19F2N3O2/c20-13-4-9-16(21)17(12-13)23-19(26)18(25)22-14-5-7-15(8-6-14)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11H2,(H,22,25)(H,23,26)
InChIKeyUQSQBODLKAGDCN-UHFFFAOYSA-N
XLogP3.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.53
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'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987612
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108527759
(2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
CID 25389306
N'-(2,5-dichlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987617
N'-(2,5-difluorophenyl)-N-(4-iodophenyl)oxamide
CID 108532053
N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108522705
N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109041838
N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108507754
N-cyclohexyl-N'-(2,5-difluorophenyl)oxamide
CID 7585081
N-(2-fluoro-5-piperidin-1-ylphenyl)propanamide
CID 110362225
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 110361783

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide (CID 108527766) is N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide is O=C(Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide?
The InChIKey is UQSQBODLKAGDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c20-13-4-9-16(21)17(12-13)23-19(26)18(25)22-14-5-7-15(8-6-14)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11H2,(H,22,25)(H,23,26).
What are the key properties of N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide?
N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide has a molecular weight of 359.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide is sourced from PubChem (CID 108527766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).