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

C18H17F2N3O2 — CID 108987612

IUPACN'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H17F2N3O2/c19-12-3-8-16(15(20)11-12)22-18(25)17(24)21-13-4-6-14(7-5-13)23-9-1-2-10-23/h3-8,11H,1-2,9-10H2,(H,21,24)(H,22,25)
InChIKeyXYKPNNXOCOSHLF-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.14
Rot. Bonds3

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

N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide (PubChem CID 108987612) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
PubChem CID108987612
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC NameN'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H17F2N3O2/c19-12-3-8-16(15(20)11-12)22-18(25)17(24)21-13-4-6-14(7-5-13)23-9-1-2-10-23/h3-8,11H,1-2,9-10H2,(H,21,24)(H,22,25)
InChIKeyXYKPNNXOCOSHLF-UHFFFAOYSA-N
XLogP3.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.14
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'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108527766
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
N-(4-piperidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108527759
N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109041838
N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109200605
N'-(2,5-dichlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987617
N-(2,4-difluorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47109120
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113177074
N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide
CID 108530640
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide
CID 110426763
N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108522705

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide (CID 108987612) is N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide is O=C(Nc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The InChIKey is XYKPNNXOCOSHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-12-3-8-16(15(20)11-12)22-18(25)17(24)21-13-4-6-14(7-5-13)23-9-1-2-10-23/h3-8,11H,1-2,9-10H2,(H,21,24)(H,22,25).
What are the key properties of N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide?
N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide has a molecular weight of 345.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide is sourced from PubChem (CID 108987612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).