4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide

C16H17FN2O2 — CID 126842071

IUPAC4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide
SMILESCc1cccc(CONC(=O)c2cc(C)c(F)c(C)c2)n1
InChIInChI=1S/C16H17FN2O2/c1-10-7-13(8-11(2)15(10)17)16(20)19-21-9-14-6-4-5-12(3)18-14/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyPMPQHABPSPWMIL-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.01
Rot. Bonds4

About 4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide

4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide (PubChem CID 126842071) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide.

Molecular Properties

Compound Name4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide
PubChem CID126842071
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide
SMILESCc1cccc(CONC(=O)c2cc(C)c(F)c(C)c2)n1
InChIInChI=1S/C16H17FN2O2/c1-10-7-13(8-11(2)15(10)17)16(20)19-21-9-14-6-4-5-12(3)18-14/h4-8H,9H2,1-3H3,(H,19,20)
InChIKeyPMPQHABPSPWMIL-UHFFFAOYSA-N
XLogP3.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide?
The IUPAC name of 4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide (CID 126842071) is 4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide.
What is the SMILES notation for 4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide?
The canonical SMILES for 4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide is Cc1cccc(CONC(=O)c2cc(C)c(F)c(C)c2)n1.
What is the InChIKey of 4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide?
The InChIKey is PMPQHABPSPWMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-7-13(8-11(2)15(10)17)16(20)19-21-9-14-6-4-5-12(3)18-14/h4-8H,9H2,1-3H3,(H,19,20).
What are the key properties of 4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide?
4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide has a molecular weight of 288.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methoxy]benzamide is sourced from PubChem (CID 126842071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).