3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide

C15H15FN2O — CID 154859412

IUPAC3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide
SMILESCc1ccncc1NC(=O)CCc1ccccc1F
InChIInChI=1S/C15H15FN2O/c1-11-8-9-17-10-14(11)18-15(19)7-6-12-4-2-3-5-13(12)16/h2-5,8-10H,6-7H2,1H3,(H,18,19)
InChIKeyQOFPSTBMBIOUPW-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.10
Rot. Bonds4

About 3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide

3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide (PubChem CID 154859412) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide
PubChem CID154859412
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide
SMILESCc1ccncc1NC(=O)CCc1ccccc1F
InChIInChI=1S/C15H15FN2O/c1-11-8-9-17-10-14(11)18-15(19)7-6-12-4-2-3-5-13(12)16/h2-5,8-10H,6-7H2,1H3,(H,18,19)
InChIKeyQOFPSTBMBIOUPW-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide (CID 154859412) is 3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide is Cc1ccncc1NC(=O)CCc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide?
The InChIKey is QOFPSTBMBIOUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-11-8-9-17-10-14(11)18-15(19)7-6-12-4-2-3-5-13(12)16/h2-5,8-10H,6-7H2,1H3,(H,18,19).
What are the key properties of 3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide?
3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide has a molecular weight of 258.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(4-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 154859412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).