N-butyl-2-(4-fluorophenyl)acetamide

C12H16FNO — CID 25212374

IUPACN-butyl-2-(4-fluorophenyl)acetamide
SMILESCCCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-2-3-8-14-12(15)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyWQJYAZPLSQHUSF-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.28
Rot. Bonds5

About N-butyl-2-(4-fluorophenyl)acetamide

N-butyl-2-(4-fluorophenyl)acetamide (PubChem CID 25212374) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-butyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-fluorophenyl)acetamide
PubChem CID25212374
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-butyl-2-(4-fluorophenyl)acetamide
SMILESCCCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-2-3-8-14-12(15)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyWQJYAZPLSQHUSF-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-butyl-2-(4-fluorophenyl)acetamide (CID 25212374) is N-butyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-butyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-butyl-2-(4-fluorophenyl)acetamide is CCCCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-butyl-2-(4-fluorophenyl)acetamide?
The InChIKey is WQJYAZPLSQHUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-2-3-8-14-12(15)9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,14,15).
What are the key properties of N-butyl-2-(4-fluorophenyl)acetamide?
N-butyl-2-(4-fluorophenyl)acetamide has a molecular weight of 209.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 25212374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).