N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide

C18H19FN2O2 — CID 108530671

IUPACN'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
SMILESCCN(C(=O)C(=O)NCc1ccc(F)cc1)c1cccc(C)c1
InChIInChI=1S/C18H19FN2O2/c1-3-21(16-6-4-5-13(2)11-16)18(23)17(22)20-12-14-7-9-15(19)10-8-14/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyUCKCLEWRXMSMRC-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.80
Rot. Bonds4

About N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide

N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide (PubChem CID 108530671) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
PubChem CID108530671
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
SMILESCCN(C(=O)C(=O)NCc1ccc(F)cc1)c1cccc(C)c1
InChIInChI=1S/C18H19FN2O2/c1-3-21(16-6-4-5-13(2)11-16)18(23)17(22)20-12-14-7-9-15(19)10-8-14/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyUCKCLEWRXMSMRC-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.80
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

N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide
CID 108518654
N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518298
N'-ethyl-N'-(3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520362
N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108962651
4-N-ethyl-1-N-[(4-fluorophenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148470
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532413
3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108899566
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 61103383
N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
CID 108532502
N-ethyl-4-[(4-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109211612
(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid
CID 90875734

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide?
The IUPAC name of N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide (CID 108530671) is N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide is CCN(C(=O)C(=O)NCc1ccc(F)cc1)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide?
The InChIKey is UCKCLEWRXMSMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-3-21(16-6-4-5-13(2)11-16)18(23)17(22)20-12-14-7-9-15(19)10-8-14/h4-11H,3,12H2,1-2H3,(H,20,22).
What are the key properties of N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide?
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide has a molecular weight of 314.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 108530671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).