N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide

C14H19F2N3O2 — CID 7541482

IUPACN-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide
SMILESCCN(CC)CCNC(=O)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H19F2N3O2/c1-3-19(4-2)8-7-17-13(20)14(21)18-12-6-5-10(15)9-11(12)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyIBJCYEOZVPULII-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.36
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide

N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide (PubChem CID 7541482) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide
PubChem CID7541482
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC NameN-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide
SMILESCCN(CC)CCNC(=O)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H19F2N3O2/c1-3-19(4-2)8-7-17-13(20)14(21)18-12-6-5-10(15)9-11(12)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyIBJCYEOZVPULII-UHFFFAOYSA-N
XLogP1.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide
CID 108530640
N-(2,4-difluorophenyl)-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 47336227
N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892001
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541504
N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide
CID 86996766
N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide
CID 108522195
N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121478
N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide
CID 2986647
N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999475
N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide
CID 108522203
N,N'-bis(2,4-difluorophenyl)-2-methylidenebutanediamide
CID 3648870

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide (CID 7541482) is N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide is CCN(CC)CCNC(=O)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide?
The InChIKey is IBJCYEOZVPULII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-3-19(4-2)8-7-17-13(20)14(21)18-12-6-5-10(15)9-11(12)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide?
N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide has a molecular weight of 299.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide is sourced from PubChem (CID 7541482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).