N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide

C18H19FN2O2 — CID 108984905

IUPACN'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide
SMILESO=C(NCCCc1ccccc1)C(=O)NCc1ccccc1F
InChIInChI=1S/C18H19FN2O2/c19-16-11-5-4-10-15(16)13-21-18(23)17(22)20-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,20,22)(H,21,23)
InChIKeyWDDTVYDYHJJSHZ-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.19
Rot. Bonds6

About N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide

N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide (PubChem CID 108984905) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide
PubChem CID108984905
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide
SMILESO=C(NCCCc1ccccc1)C(=O)NCc1ccccc1F
InChIInChI=1S/C18H19FN2O2/c19-16-11-5-4-10-15(16)13-21-18(23)17(22)20-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,20,22)(H,21,23)
InChIKeyWDDTVYDYHJJSHZ-UHFFFAOYSA-N
XLogP2.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109148357
N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524813
N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524698
N'-(4-butylphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 108502509
4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109086345
2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide
CID 114924929
N'-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108984898
N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109211160
N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984715
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108985083
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide?
The IUPAC name of N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide (CID 108984905) is N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide.
What is the SMILES notation for N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide?
The canonical SMILES for N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide is O=C(NCCCc1ccccc1)C(=O)NCc1ccccc1F.
What is the InChIKey of N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide?
The InChIKey is WDDTVYDYHJJSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-16-11-5-4-10-15(16)13-21-18(23)17(22)20-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,20,22)(H,21,23).
What are the key properties of N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide?
N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide has a molecular weight of 314.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide is sourced from PubChem (CID 108984905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).