N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide

C13H15FN2O2 — CID 82015415

IUPACN-(2-cyano-4-fluorophenyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C13H15FN2O2/c1-2-6-18-7-5-13(17)16-12-4-3-11(14)8-10(12)9-15/h3-4,8H,2,5-7H2,1H3,(H,16,17)
InChIKeyLMLSHQVXNKLNHU-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.45
Rot. Bonds6

About N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide

N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide (PubChem CID 82015415) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-3-propoxypropanamide
PubChem CID82015415
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-(2-cyano-4-fluorophenyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C13H15FN2O2/c1-2-6-18-7-5-13(17)16-12-4-3-11(14)8-10(12)9-15/h3-4,8H,2,5-7H2,1H3,(H,16,17)
InChIKeyLMLSHQVXNKLNHU-UHFFFAOYSA-N
XLogP2.45
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyano-4-fluorophenyl)-4-ethoxybutanamide
CID 79954693
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
ethyl 4-(2-cyano-4-fluoroanilino)-4-oxobutanoate
CID 79952676
N-(2-cyano-4-fluorophenyl)-3-sulfanylpropanamide
CID 107033592
4-amino-N-(2-cyano-4-fluorophenyl)-4-methylpentanamide
CID 82015813
N-(2-cyano-4-fluorophenyl)-5-hydroxypentanamide
CID 82684893
2-[(2-cyano-4-fluorophenyl)carbamoylamino]-N-ethylacetamide
CID 78839111
N-(2-cyano-4-fluorophenyl)-3,3-dimethylbutanamide
CID 79953681
N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide
CID 104849122
N-(4-amino-2-cyanophenyl)-2-propoxyacetamide
CID 107937420
N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
CID 79954684
N-(2-amino-4-fluorophenyl)-3-(2-butoxyethoxy)propanamide
CID 28995195

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide (CID 82015415) is N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide is CCCOCCC(=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide?
The InChIKey is LMLSHQVXNKLNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-2-6-18-7-5-13(17)16-12-4-3-11(14)8-10(12)9-15/h3-4,8H,2,5-7H2,1H3,(H,16,17).
What are the key properties of N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide?
N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide has a molecular weight of 250.27 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-3-propoxypropanamide is sourced from PubChem (CID 82015415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).