N-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide

C12H16FNO2 — CID 15347513

IUPACN-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide
SMILESCOc1ccc(F)c(CCCNC(C)=O)c1
InChIInChI=1S/C12H16FNO2/c1-9(15)14-7-3-4-10-8-11(16-2)5-6-12(10)13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyTUFWTDRBKYRKOH-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.90
Rot. Bonds5

About N-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide

N-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide (PubChem CID 15347513) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide
PubChem CID15347513
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC NameN-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide
SMILESCOc1ccc(F)c(CCCNC(C)=O)c1
InChIInChI=1S/C12H16FNO2/c1-9(15)14-7-3-4-10-8-11(16-2)5-6-12(10)13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyTUFWTDRBKYRKOH-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide?
The IUPAC name of N-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide (CID 15347513) is N-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for N-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide?
The canonical SMILES for N-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide is COc1ccc(F)c(CCCNC(C)=O)c1.
What is the InChIKey of N-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide?
The InChIKey is TUFWTDRBKYRKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9(15)14-7-3-4-10-8-11(16-2)5-6-12(10)13/h5-6,8H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of N-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide?
N-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide has a molecular weight of 225.26 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-5-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 15347513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).