2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide

C15H13FN2O2 — CID 175704543

IUPAC2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide
SMILESCC(C(N)=O)c1ccc(C(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C15H13FN2O2/c1-9(15(17)20)13-7-4-11(8-18-13)14(19)10-2-5-12(16)6-3-10/h2-9H,1H3,(H2,17,20)
InChIKeyTWEHMIGHJMHMSA-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.04
Rot. Bonds4

About 2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide

2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide (PubChem CID 175704543) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide
PubChem CID175704543
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide
SMILESCC(C(N)=O)c1ccc(C(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C15H13FN2O2/c1-9(15(17)20)13-7-4-11(8-18-13)14(19)10-2-5-12(16)6-3-10/h2-9H,1H3,(H2,17,20)
InChIKeyTWEHMIGHJMHMSA-UHFFFAOYSA-N
XLogP2.04
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide (CID 175704543) is 2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide is CC(C(N)=O)c1ccc(C(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of 2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide?
The InChIKey is TWEHMIGHJMHMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-9(15(17)20)13-7-4-11(8-18-13)14(19)10-2-5-12(16)6-3-10/h2-9H,1H3,(H2,17,20).
What are the key properties of 2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide?
2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide has a molecular weight of 272.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorobenzoyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 175704543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).