N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide

C15H19F3N2O2 — CID 108951939

IUPACN-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCCCCCNC(=O)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-2-3-6-9-19-13(21)10-14(22)20-12-8-5-4-7-11(12)15(16,17)18/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyUBEAZBKDWMKBEM-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.34
Rot. Bonds7

About N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide

N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108951939) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
PubChem CID108951939
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCCCCCNC(=O)CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-2-3-6-9-19-13(21)10-14(22)20-12-8-5-4-7-11(12)15(16,17)18/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyUBEAZBKDWMKBEM-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005975
N'-(2-cyanophenyl)-N-pentylpropanediamide
CID 108951989
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945471
N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108951934
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
CID 108953788
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
N-butyl-N'-(2-methoxyphenyl)propanediamide
CID 108941476
N'-(2-ethylphenyl)-N-propylpropanediamide
CID 108940680
1-(5-hydroxypentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108887689

Frequently Asked Questions

What is the IUPAC name of N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide (CID 108951939) is N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide is CCCCCNC(=O)CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is UBEAZBKDWMKBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-2-3-6-9-19-13(21)10-14(22)20-12-8-5-4-7-11(12)15(16,17)18/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide?
N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 316.32 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108951939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).