N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide

C17H15FN2O2 — CID 43824295

IUPACN-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide
SMILESN#Cc1ccccc1NC(=O)CCCOc1ccccc1F
InChIInChI=1S/C17H15FN2O2/c18-14-7-2-4-9-16(14)22-11-5-10-17(21)20-15-8-3-1-6-13(15)12-19/h1-4,6-9H,5,10-11H2,(H,20,21)
InChIKeyMNTZTTYCEZFROQ-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.50
Rot. Bonds6

About N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide

N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide (PubChem CID 43824295) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide
PubChem CID43824295
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide
SMILESN#Cc1ccccc1NC(=O)CCCOc1ccccc1F
InChIInChI=1S/C17H15FN2O2/c18-14-7-2-4-9-16(14)22-11-5-10-17(21)20-15-8-3-1-6-13(15)12-19/h1-4,6-9H,5,10-11H2,(H,20,21)
InChIKeyMNTZTTYCEZFROQ-UHFFFAOYSA-N
XLogP3.50
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.50
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-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
N-(2-cyanophenyl)-4-hexoxybutanamide
CID 43128141
methyl 9-(2-cyanoanilino)-9-oxononanoate
CID 169087837
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 43824298
N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide
CID 60549854
N-(2-cyanophenyl)-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854041
2-(5-bromo-2-fluorophenoxy)-N-(2-cyanophenyl)acetamide
CID 115918411
4-[4-(2-fluorophenoxy)butanoylamino]-N-methylbenzamide
CID 60549875
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712
N-(2,4-difluorophenyl)-3-(2-fluorophenoxy)propanamide
CID 51158552
4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide
CID 60550880

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide?
The IUPAC name of N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide (CID 43824295) is N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide is N#Cc1ccccc1NC(=O)CCCOc1ccccc1F.
What is the InChIKey of N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide?
The InChIKey is MNTZTTYCEZFROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-14-7-2-4-9-16(14)22-11-5-10-17(21)20-15-8-3-1-6-13(15)12-19/h1-4,6-9H,5,10-11H2,(H,20,21).
What are the key properties of N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide?
N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide has a molecular weight of 298.32 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 43824295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).