2-(2-fluorophenyl)pentanediamide

C11H13FN2O2 — CID 20546135

IUPAC2-(2-fluorophenyl)pentanediamide
SMILESNC(=O)CCC(C(N)=O)c1ccccc1F
InChIInChI=1S/C11H13FN2O2/c12-9-4-2-1-3-7(9)8(11(14)16)5-6-10(13)15/h1-4,8H,5-6H2,(H2,13,15)(H2,14,16)
InChIKeyVDVCAYXDAZEUII-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.66
Rot. Bonds5

About 2-(2-fluorophenyl)pentanediamide

2-(2-fluorophenyl)pentanediamide (PubChem CID 20546135) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-(2-fluorophenyl)pentanediamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)pentanediamide
PubChem CID20546135
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name2-(2-fluorophenyl)pentanediamide
SMILESNC(=O)CCC(C(N)=O)c1ccccc1F
InChIInChI=1S/C11H13FN2O2/c12-9-4-2-1-3-7(9)8(11(14)16)5-6-10(13)15/h1-4,8H,5-6H2,(H2,13,15)(H2,14,16)
InChIKeyVDVCAYXDAZEUII-UHFFFAOYSA-N
XLogP0.66
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluorophenyl)pentanediamide
CID 20546134
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228
5-ethoxy-4-(2-fluorophenyl)-5-oxopentanoic acid
CID 10890444
2-fluoro-2-(2-fluorophenyl)acetamide
CID 115013813
2-(2-fluorophenyl)-2-phenylacetamide
CID 122446902
2-(2-fluorophenyl)butanedioic acid
CID 50990542
(3S)-5-amino-3-(2-fluorophenyl)-5-oxopentanoic acid
CID 97013866
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488
5-amino-5-(2-fluorophenyl)pentan-2-one
CID 116940768
(2S)-2-amino-4-(2-fluorophenyl)pentanedioic acid
CID 172697972
2-(2-fluorophenyl)-5-methylhexanoic acid
CID 79439797
[3-amino-3-(2-fluorophenyl)propyl] carbamate;methane
CID 158668291

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)pentanediamide?
The IUPAC name of 2-(2-fluorophenyl)pentanediamide (CID 20546135) is 2-(2-fluorophenyl)pentanediamide.
What is the SMILES notation for 2-(2-fluorophenyl)pentanediamide?
The canonical SMILES for 2-(2-fluorophenyl)pentanediamide is NC(=O)CCC(C(N)=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)pentanediamide?
The InChIKey is VDVCAYXDAZEUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-9-4-2-1-3-7(9)8(11(14)16)5-6-10(13)15/h1-4,8H,5-6H2,(H2,13,15)(H2,14,16).
What are the key properties of 2-(2-fluorophenyl)pentanediamide?
2-(2-fluorophenyl)pentanediamide has a molecular weight of 224.24 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)pentanediamide is sourced from PubChem (CID 20546135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).