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

C16H15FN2O2 — CID 87039327

IUPACN-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide
SMILESCN(C(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H15FN2O2/c1-19(14-5-3-2-4-6-14)16(21)15(20)18-11-12-7-9-13(17)10-8-12/h2-10H,11H2,1H3,(H,18,20)
InChIKeyLMLIKHLNAZVWLF-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.10
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide (PubChem CID 87039327) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide
PubChem CID87039327
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide
SMILESCN(C(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H15FN2O2/c1-19(14-5-3-2-4-6-14)16(21)15(20)18-11-12-7-9-13(17)10-8-12/h2-10H,11H2,1H3,(H,18,20)
InChIKeyLMLIKHLNAZVWLF-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.10
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
2-[(4-fluorophenyl)methylamino]-N-methyl-N-phenylacetamide
CID 108997751
N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide
CID 108523264
2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136072
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide
CID 47333935
1-benzyl-3-[(4-fluorophenyl)methyl]-1-phenylurea
CID 108867698
N-(2-fluorophenyl)-N'-methyl-N'-phenyloxamide
CID 108520782
2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid
CID 25219996
N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597
N-[(4-fluorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109257175

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide (CID 87039327) is N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide is CN(C(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide?
The InChIKey is LMLIKHLNAZVWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-19(14-5-3-2-4-6-14)16(21)15(20)18-11-12-7-9-13(17)10-8-12/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide?
N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide has a molecular weight of 286.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide is sourced from PubChem (CID 87039327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).