2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide

C22H25FN4O2 — CID 58756791

IUPAC2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCCCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C22H25FN4O2/c23-20-11-9-18(10-12-20)16-29-17-22(28)24-13-5-2-6-14-27-15-21(25-26-27)19-7-3-1-4-8-19/h1,3-4,7-12,15H,2,5-6,13-14,16-17H2,(H,24,28)
InChIKeySFMXDAUTYBEOHQ-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.59
Rot. Bonds11

About 2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide

2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide (PubChem CID 58756791) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide
PubChem CID58756791
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCCCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C22H25FN4O2/c23-20-11-9-18(10-12-20)16-29-17-22(28)24-13-5-2-6-14-27-15-21(25-26-27)19-7-3-1-4-8-19/h1,3-4,7-12,15H,2,5-6,13-14,16-17H2,(H,24,28)
InChIKeySFMXDAUTYBEOHQ-UHFFFAOYSA-N
XLogP3.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide (CID 58756791) is 2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide is O=C(COCc1ccc(F)cc1)NCCCCCn1cc(-c2ccccc2)nn1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide?
The InChIKey is SFMXDAUTYBEOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c23-20-11-9-18(10-12-20)16-29-17-22(28)24-13-5-2-6-14-27-15-21(25-26-27)19-7-3-1-4-8-19/h1,3-4,7-12,15H,2,5-6,13-14,16-17H2,(H,24,28).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide?
2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 3.59, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide is sourced from PubChem (CID 58756791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).