N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide

C18H17FN2O2 — CID 60549854

IUPACN-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide
SMILESN#Cc1ccc(CNC(=O)CCCOc2ccccc2F)cc1
InChIInChI=1S/C18H17FN2O2/c19-16-4-1-2-5-17(16)23-11-3-6-18(22)21-13-15-9-7-14(12-20)8-10-15/h1-2,4-5,7-10H,3,6,11,13H2,(H,21,22)
InChIKeyLDOILDBELVVHEN-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.17
Rot. Bonds7

About N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide

N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide (PubChem CID 60549854) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide
PubChem CID60549854
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide
SMILESN#Cc1ccc(CNC(=O)CCCOc2ccccc2F)cc1
InChIInChI=1S/C18H17FN2O2/c19-16-4-1-2-5-17(16)23-11-3-6-18(22)21-13-15-9-7-14(12-20)8-10-15/h1-2,4-5,7-10H,3,6,11,13H2,(H,21,22)
InChIKeyLDOILDBELVVHEN-UHFFFAOYSA-N
XLogP3.17
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.17
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

4-(2-fluorophenoxy)-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 171130212
4-(2-fluorophenoxy)-N-prop-2-ynylbutanamide
CID 60550880
1-[(4-cyanophenyl)methyl]-3-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]urea
CID 86941194
2-[4-(2-fluorophenoxy)butanoylamino]acetic acid
CID 110466152
N-(2-cyanophenyl)-4-(2-fluorophenoxy)butanamide
CID 43824295
4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 84555813
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51143155
4-(2-fluorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110466153
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51158751
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenoxy)propanamide
CID 4789934

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide (CID 60549854) is N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide is N#Cc1ccc(CNC(=O)CCCOc2ccccc2F)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide?
The InChIKey is LDOILDBELVVHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-16-4-1-2-5-17(16)23-11-3-6-18(22)21-13-15-9-7-14(12-20)8-10-15/h1-2,4-5,7-10H,3,6,11,13H2,(H,21,22).
What are the key properties of N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide?
N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide has a molecular weight of 312.34 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-4-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 60549854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).