2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide

C18H19FN2O2 — CID 2463726

IUPAC2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)NCCCc1ccccc1
InChIInChI=1S/C18H19FN2O2/c19-16-11-5-4-10-15(16)18(23)21-13-17(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)
InChIKeyWXXHKWAGCKDHCE-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.30
Rot. Bonds7

About 2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide

2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide (PubChem CID 2463726) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
PubChem CID2463726
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)NCCCc1ccccc1
InChIInChI=1S/C18H19FN2O2/c19-16-11-5-4-10-15(16)18(23)21-13-17(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)
InChIKeyWXXHKWAGCKDHCE-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide
CID 110414975
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-fluoro-N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]benzamide
CID 24637562
2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 40628904
N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
CID 2524355
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740
N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 29369017
4-cyano-2-fluoro-N-(3-phenylpropyl)benzamide
CID 2987506
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide (CID 2463726) is 2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide is O=C(CNC(=O)c1ccccc1F)NCCCc1ccccc1.
What is the InChIKey of 2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide?
The InChIKey is WXXHKWAGCKDHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-16-11-5-4-10-15(16)18(23)21-13-17(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 2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide?
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide has a molecular weight of 314.36 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide is sourced from PubChem (CID 2463726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).