N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide

C18H20FN3O2 — CID 108512632

IUPACN-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O2/c1-3-22(4-2)16-11-9-15(10-12-16)21-18(24)17(23)20-14-7-5-13(19)6-8-14/h5-12H,3-4H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyOOVFNPCTMXUQFP-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.25
Rot. Bonds5

About N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide

N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide (PubChem CID 108512632) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
PubChem CID108512632
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O2/c1-3-22(4-2)16-11-9-15(10-12-16)21-18(24)17(23)20-14-7-5-13(19)6-8-14/h5-12H,3-4H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyOOVFNPCTMXUQFP-UHFFFAOYSA-N
XLogP3.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.25
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-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide
CID 108530640
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
N,N-diethyl-4-fluoroaniline
CID 592416
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508799
N-(2-chloroethyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108513980
5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198981
N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30898777
N-[4-(diethylamino)phenyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108525164
1-[4-(diethylamino)phenyl]-3-(2,4-difluorophenyl)urea
CID 970808
1-[4-(diethylamino)phenyl]-3-(2,5-difluorophenyl)urea
CID 3383505
N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide
CID 108515024

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide (CID 108512632) is N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide?
The InChIKey is OOVFNPCTMXUQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-3-22(4-2)16-11-9-15(10-12-16)21-18(24)17(23)20-14-7-5-13(19)6-8-14/h5-12H,3-4H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide?
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide has a molecular weight of 329.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide is sourced from PubChem (CID 108512632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).