6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide

C16H15ClF2N2O3 — CID 163997314

IUPAC6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide
SMILESCON(C)C(=O)c1ccc(Oc2ccc(Cl)cc2)nc1C(C)(F)F
InChIInChI=1S/C16H15ClF2N2O3/c1-16(18,19)14-12(15(22)21(2)23-3)8-9-13(20-14)24-11-6-4-10(17)5-7-11/h4-9H,1-3H3
InChIKeyUFVRUYMWYLXNMC-UHFFFAOYSA-N
MW356.76 g/mol
LogP4.27
Rot. Bonds5

About 6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide

6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 163997314) has the molecular formula C16H15ClF2N2O3 and a molecular weight of 356.76 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide
PubChem CID163997314
Molecular FormulaC16H15ClF2N2O3
Molecular Weight356.76 g/mol
Exact Mass356.07
IUPAC Name6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide
SMILESCON(C)C(=O)c1ccc(Oc2ccc(Cl)cc2)nc1C(C)(F)F
InChIInChI=1S/C16H15ClF2N2O3/c1-16(18,19)14-12(15(22)21(2)23-3)8-9-13(20-14)24-11-6-4-10(17)5-7-11/h4-9H,1-3H3
InChIKeyUFVRUYMWYLXNMC-UHFFFAOYSA-N
XLogP4.27
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 54.27
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 6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide (CID 163997314) is 6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide is CON(C)C(=O)c1ccc(Oc2ccc(Cl)cc2)nc1C(C)(F)F.
What is the InChIKey of 6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is UFVRUYMWYLXNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O3/c1-16(18,19)14-12(15(22)21(2)23-3)8-9-13(20-14)24-11-6-4-10(17)5-7-11/h4-9H,1-3H3.
What are the key properties of 6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide?
6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 356.76 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-2-(1,1-difluoroethyl)-N-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 163997314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).