2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide

C15H15FN2O2 — CID 62513842

IUPAC2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(C)ccc2F)cn1
InChIInChI=1S/C15H15FN2O2/c1-10-3-5-13(16)12(7-10)15(19)18-9-11-4-6-14(20-2)17-8-11/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyDOKRSAQWTZBGID-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.47
Rot. Bonds4

About 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide

2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide (PubChem CID 62513842) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide
PubChem CID62513842
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(C)ccc2F)cn1
InChIInChI=1S/C15H15FN2O2/c1-10-3-5-13(16)12(7-10)15(19)18-9-11-4-6-14(20-2)17-8-11/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyDOKRSAQWTZBGID-UHFFFAOYSA-N
XLogP2.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide
CID 107029142
2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-4,6-dicarboxamide
CID 59980542
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 62991277
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81239641
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide
CID 167771405

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide (CID 62513842) is 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide is COc1ccc(CNC(=O)c2cc(C)ccc2F)cn1.
What is the InChIKey of 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide?
The InChIKey is DOKRSAQWTZBGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-3-5-13(16)12(7-10)15(19)18-9-11-4-6-14(20-2)17-8-11/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide?
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide is sourced from PubChem (CID 62513842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).