4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide

C15H15FN2O3 — CID 118864044

IUPAC4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide
SMILESCOc1cc(-c2ccc(C(=O)N(C)OC)cc2)c(F)cn1
InChIInChI=1S/C15H15FN2O3/c1-18(21-3)15(19)11-6-4-10(5-7-11)12-8-14(20-2)17-9-13(12)16/h4-9H,1-3H3
InChIKeyTWWGMCNQJDULBJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.53
Rot. Bonds4

About 4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide

4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide (PubChem CID 118864044) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide
PubChem CID118864044
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide
SMILESCOc1cc(-c2ccc(C(=O)N(C)OC)cc2)c(F)cn1
InChIInChI=1S/C15H15FN2O3/c1-18(21-3)15(19)11-6-4-10(5-7-11)12-8-14(20-2)17-9-13(12)16/h4-9H,1-3H3
InChIKeyTWWGMCNQJDULBJ-UHFFFAOYSA-N
XLogP2.53
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide?
The IUPAC name of 4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide (CID 118864044) is 4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide?
The canonical SMILES for 4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide is COc1cc(-c2ccc(C(=O)N(C)OC)cc2)c(F)cn1.
What is the InChIKey of 4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide?
The InChIKey is TWWGMCNQJDULBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-18(21-3)15(19)11-6-4-10(5-7-11)12-8-14(20-2)17-9-13(12)16/h4-9H,1-3H3.
What are the key properties of 4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide?
4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide has a molecular weight of 290.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 118864044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).