2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide

C19H21FN2O — CID 16552460

IUPAC2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H21FN2O/c20-16-6-4-5-15(13-16)14-19(23)21-17-7-9-18(10-8-17)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H,21,23)
InChIKeyBYNUYEAZDNMUFX-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.00
Rot. Bonds4

About 2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide

2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 16552460) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID16552460
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H21FN2O/c20-16-6-4-5-15(13-16)14-19(23)21-17-7-9-18(10-8-17)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H,21,23)
InChIKeyBYNUYEAZDNMUFX-UHFFFAOYSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide (CID 16552460) is 2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide is O=C(Cc1cccc(F)c1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is BYNUYEAZDNMUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-16-6-4-5-15(13-16)14-19(23)21-17-7-9-18(10-8-17)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H,21,23).
What are the key properties of 2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide?
2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 312.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 16552460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).