2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide

C15H14F2N2O2 — CID 71863369

IUPAC2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide
SMILESCOc1cccc(CNC(=O)c2cc(C)c(F)cc2F)n1
InChIInChI=1S/C15H14F2N2O2/c1-9-6-11(13(17)7-12(9)16)15(20)18-8-10-4-3-5-14(19-10)21-2/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyIEYJADJYOJUEFW-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.61
Rot. Bonds4

About 2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide

2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide (PubChem CID 71863369) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide
PubChem CID71863369
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide
SMILESCOc1cccc(CNC(=O)c2cc(C)c(F)cc2F)n1
InChIInChI=1S/C15H14F2N2O2/c1-9-6-11(13(17)7-12(9)16)15(20)18-8-10-4-3-5-14(19-10)21-2/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyIEYJADJYOJUEFW-UHFFFAOYSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide?
The IUPAC name of 2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide (CID 71863369) is 2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide?
The canonical SMILES for 2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide is COc1cccc(CNC(=O)c2cc(C)c(F)cc2F)n1.
What is the InChIKey of 2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide?
The InChIKey is IEYJADJYOJUEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-9-6-11(13(17)7-12(9)16)15(20)18-8-10-4-3-5-14(19-10)21-2/h3-7H,8H2,1-2H3,(H,18,20).
What are the key properties of 2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide?
2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide has a molecular weight of 292.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylbenzamide is sourced from PubChem (CID 71863369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).