N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide

C20H23FN2O4 — CID 108512624

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)Nc2ccc(F)cc2)cc1OCC
InChIInChI=1S/C20H23FN2O4/c1-3-26-17-10-5-14(13-18(17)27-4-2)11-12-22-19(24)20(25)23-16-8-6-15(21)7-9-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCWQPZPSJZKNZNJ-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.92
Rot. Bonds8

About N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide (PubChem CID 108512624) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide
PubChem CID108512624
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)Nc2ccc(F)cc2)cc1OCC
InChIInChI=1S/C20H23FN2O4/c1-3-26-17-10-5-14(13-18(17)27-4-2)11-12-22-19(24)20(25)23-16-8-6-15(21)7-9-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCWQPZPSJZKNZNJ-UHFFFAOYSA-N
XLogP2.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 108529772
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 108529747
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-naphthalen-2-yloxamide
CID 108528317
[4-[[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108527792
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501437
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 3440656
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518152
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide
CID 108529757
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232209
N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108529732
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519171

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide (CID 108512624) is N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide is CCOc1ccc(CCNC(=O)C(=O)Nc2ccc(F)cc2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide?
The InChIKey is CWQPZPSJZKNZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-3-26-17-10-5-14(13-18(17)27-4-2)11-12-22-19(24)20(25)23-16-8-6-15(21)7-9-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide has a molecular weight of 374.41 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide is sourced from PubChem (CID 108512624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).