5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide

C18H19F2NO — CID 110297766

IUPAC5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
SMILESO=C(CCCCc1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C18H19F2NO/c19-16-9-5-14(6-10-16)3-1-2-4-18(22)21-13-15-7-11-17(20)12-8-15/h5-12H,1-4,13H2,(H,21,22)
InChIKeyFBQDJUMOOBQLJA-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.99
Rot. Bonds7

About 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide

5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide (PubChem CID 110297766) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
PubChem CID110297766
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
SMILESO=C(CCCCc1ccc(F)cc1)NCc1ccc(F)cc1
InChIInChI=1S/C18H19F2NO/c19-16-9-5-14(6-10-16)3-1-2-4-18(22)21-13-15-7-11-17(20)12-8-15/h5-12H,1-4,13H2,(H,21,22)
InChIKeyFBQDJUMOOBQLJA-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-hydroxypentanamide
CID 79199621
N-[(4-fluorophenyl)methyl]-8-oxooctanamide
CID 90932899
N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
CID 110297704
5-(4-fluorophenyl)-N-formylpentanamide
CID 145350810
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
5-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 110306829
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
CID 51195875
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
5-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 9270471
3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 38123056

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide (CID 110297766) is 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide is O=C(CCCCc1ccc(F)cc1)NCc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide?
The InChIKey is FBQDJUMOOBQLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c19-16-9-5-14(6-10-16)3-1-2-4-18(22)21-13-15-7-11-17(20)12-8-15/h5-12H,1-4,13H2,(H,21,22).
What are the key properties of 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide?
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide has a molecular weight of 303.35 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide is sourced from PubChem (CID 110297766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).