N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide

C17H17FN2O2 — CID 7541549

IUPACN'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide
SMILESO=C(NCCCc1ccccc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H17FN2O2/c18-14-9-4-10-15(12-14)20-17(22)16(21)19-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2,(H,19,21)(H,20,22)
InChIKeyUQHPPHKQXJVNQV-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.51
Rot. Bonds5

About N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide

N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide (PubChem CID 7541549) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide
PubChem CID7541549
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide
SMILESO=C(NCCCc1ccccc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H17FN2O2/c18-14-9-4-10-15(12-14)20-17(22)16(21)19-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2,(H,19,21)(H,20,22)
InChIKeyUQHPPHKQXJVNQV-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.51
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

N'-(3-fluorophenyl)-N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]oxamide
CID 16891835
N-[2-(4-chlorophenyl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 7292818
N-(4-phenylbutyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 4583432
N-(2-acetamidoethyl)-N'-(3-fluorophenyl)oxamide
CID 47226155
N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194940
1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea
CID 47081834
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174835
N-[3-(3-phenylpropylamino)phenyl]acetamide
CID 3022474
N'-(3-fluorophenyl)-N-prop-2-enyloxamide
CID 7292817
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide
CID 2272581

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide?
The IUPAC name of N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide (CID 7541549) is N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide?
The canonical SMILES for N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide is O=C(NCCCc1ccccc1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide?
The InChIKey is UQHPPHKQXJVNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-14-9-4-10-15(12-14)20-17(22)16(21)19-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2,(H,19,21)(H,20,22).
What are the key properties of N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide?
N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide has a molecular weight of 300.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-(3-phenylpropyl)oxamide is sourced from PubChem (CID 7541549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).