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

C14H19FN2O2 — CID 108526117

IUPACN',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide
SMILESCCN(CC)C(=O)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-3-17(4-2)14(19)13(18)16-10-9-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyRFCGCHOANBLJTK-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.35
Rot. Bonds5

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

N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide (PubChem CID 108526117) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide
PubChem CID108526117
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide
SMILESCCN(CC)C(=O)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H19FN2O2/c1-3-17(4-2)14(19)13(18)16-10-9-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyRFCGCHOANBLJTK-UHFFFAOYSA-N
XLogP1.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603517
methyl 2-[2-(4-fluorophenyl)ethylamino]-2-oxoacetate
CID 112616592
N,N-diethyl-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 28570858
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
3-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62854086
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea
CID 108902141
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 108531969
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide
CID 111596241
N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide
CID 108523264
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119263958
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide?
The IUPAC name of N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide (CID 108526117) is N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide.
What is the SMILES notation for N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide?
The canonical SMILES for N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide is CCN(CC)C(=O)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide?
The InChIKey is RFCGCHOANBLJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-17(4-2)14(19)13(18)16-10-9-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide?
N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide has a molecular weight of 266.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide is sourced from PubChem (CID 108526117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).