4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide

C15H15FN2O — CID 113268641

IUPAC4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cc(F)ccc1C(=O)NCc1ncccc1C
InChIInChI=1S/C15H15FN2O/c1-10-4-3-7-17-14(10)9-18-15(19)13-6-5-12(16)8-11(13)2/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyARNSGJDUXVCYBS-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.77
Rot. Bonds3

About 4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide

4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 113268641) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
PubChem CID113268641
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cc(F)ccc1C(=O)NCc1ncccc1C
InChIInChI=1S/C15H15FN2O/c1-10-4-3-7-17-14(10)9-18-15(19)13-6-5-12(16)8-11(13)2/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyARNSGJDUXVCYBS-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide (CID 113268641) is 4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide is Cc1cc(F)ccc1C(=O)NCc1ncccc1C.
What is the InChIKey of 4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is ARNSGJDUXVCYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-4-3-7-17-14(10)9-18-15(19)13-6-5-12(16)8-11(13)2/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 258.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 113268641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).