N-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide

C15H19FN2O3 — CID 126832694

IUPACN-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide
SMILESCCCCCOCC(=O)Nc1cc(OC)c(C#N)cc1F
InChIInChI=1S/C15H19FN2O3/c1-3-4-5-6-21-10-15(19)18-13-8-14(20-2)11(9-17)7-12(13)16/h7-8H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyJUXZPFDULFFFRD-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.85
Rot. Bonds8

About N-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide

N-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide (PubChem CID 126832694) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide.

Molecular Properties

Compound NameN-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide
PubChem CID126832694
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC NameN-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide
SMILESCCCCCOCC(=O)Nc1cc(OC)c(C#N)cc1F
InChIInChI=1S/C15H19FN2O3/c1-3-4-5-6-21-10-15(19)18-13-8-14(20-2)11(9-17)7-12(13)16/h7-8H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyJUXZPFDULFFFRD-UHFFFAOYSA-N
XLogP2.85
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide?
The IUPAC name of N-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide (CID 126832694) is N-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide.
What is the SMILES notation for N-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide?
The canonical SMILES for N-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide is CCCCCOCC(=O)Nc1cc(OC)c(C#N)cc1F.
What is the InChIKey of N-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide?
The InChIKey is JUXZPFDULFFFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-3-4-5-6-21-10-15(19)18-13-8-14(20-2)11(9-17)7-12(13)16/h7-8H,3-6,10H2,1-2H3,(H,18,19).
What are the key properties of N-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide?
N-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide has a molecular weight of 294.33 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluoro-5-methoxyphenyl)-2-pentoxyacetamide is sourced from PubChem (CID 126832694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).