N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide

C17H17FN2O2 — CID 108518654

IUPACN'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H17FN2O2/c1-2-20(15-6-4-3-5-7-15)17(22)16(21)19-12-13-8-10-14(18)11-9-13/h3-11H,2,12H2,1H3,(H,19,21)
InChIKeyPSLHBEDLERFMDZ-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.49
Rot. Bonds4

About N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide

N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide (PubChem CID 108518654) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide.

Molecular Properties

Compound NameN'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide
PubChem CID108518654
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide
SMILESCCN(C(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H17FN2O2/c1-2-20(15-6-4-3-5-7-15)17(22)16(21)19-12-13-8-10-14(18)11-9-13/h3-11H,2,12H2,1H3,(H,19,21)
InChIKeyPSLHBEDLERFMDZ-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.49
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'-(3-methylphenyl)oxamide
CID 108530671
N'-ethyl-N'-phenyl-N-(pyridin-4-ylmethyl)oxamide
CID 108518202
N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide
CID 87039327
N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide
CID 108523264
N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide
CID 108985887
N-[[3-(aminomethyl)phenyl]methyl]-N'-ethyl-N'-phenyloxamide
CID 108518553
1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea
CID 108867698
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086521
N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108518572
N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide
CID 109281723
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide
CID 111596241
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide?
The IUPAC name of N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide (CID 108518654) is N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide.
What is the SMILES notation for N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide?
The canonical SMILES for N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide is CCN(C(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide?
The InChIKey is PSLHBEDLERFMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-2-20(15-6-4-3-5-7-15)17(22)16(21)19-12-13-8-10-14(18)11-9-13/h3-11H,2,12H2,1H3,(H,19,21).
What are the key properties of N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide?
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide has a molecular weight of 300.33 g/mol, XLogP of 2.49, 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'-phenyloxamide is sourced from PubChem (CID 108518654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).