2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide

C15H14ClFN2O2 — CID 103891558

IUPAC2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-19(7-8-21-12-5-3-2-4-6-12)15(20)13-9-11(17)10-18-14(13)16/h2-6,9-10H,7-8H2,1H3
InChIKeyHEACBDBBSIILIB-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.03
Rot. Bonds5

About 2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide

2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide (PubChem CID 103891558) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
PubChem CID103891558
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C15H14ClFN2O2/c1-19(7-8-21-12-5-3-2-4-6-12)15(20)13-9-11(17)10-18-14(13)16/h2-6,9-10H,7-8H2,1H3
InChIKeyHEACBDBBSIILIB-UHFFFAOYSA-N
XLogP3.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645434
2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103893263
5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide
CID 16596269
4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
CID 61114074
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034158
2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 103892317
2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960771
2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 103939963
5-chloro-4-iodo-2-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 55605627
6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 61042256
2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 134028048
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 34472485

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide (CID 103891558) is 2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide is CN(CCOc1ccccc1)C(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide?
The InChIKey is HEACBDBBSIILIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-19(7-8-21-12-5-3-2-4-6-12)15(20)13-9-11(17)10-18-14(13)16/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide?
2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide has a molecular weight of 308.74 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 103891558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).