N-[(2-fluorophenyl)methyl]hexanamide

C13H18FNO — CID 17068300

IUPACN-[(2-fluorophenyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-2-3-4-9-13(16)15-10-11-7-5-6-8-12(11)14/h5-8H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyPZYHZYLPZCVKRK-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.02
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]hexanamide

N-[(2-fluorophenyl)methyl]hexanamide (PubChem CID 17068300) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]hexanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]hexanamide
PubChem CID17068300
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[(2-fluorophenyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-2-3-4-9-13(16)15-10-11-7-5-6-8-12(11)14/h5-8H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyPZYHZYLPZCVKRK-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]hexanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]hexanamide (CID 17068300) is N-[(2-fluorophenyl)methyl]hexanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]hexanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]hexanamide is CCCCCC(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]hexanamide?
The InChIKey is PZYHZYLPZCVKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-2-3-4-9-13(16)15-10-11-7-5-6-8-12(11)14/h5-8H,2-4,9-10H2,1H3,(H,15,16).
What are the key properties of N-[(2-fluorophenyl)methyl]hexanamide?
N-[(2-fluorophenyl)methyl]hexanamide has a molecular weight of 223.29 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]hexanamide is sourced from PubChem (CID 17068300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).