N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide

C15H14ClFN2O2 — CID 115496886

IUPACN-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)c1cccc(F)n1
InChIInChI=1S/C15H14ClFN2O2/c1-2-8-21-13-7-6-10(16)9-12(13)19-15(20)11-4-3-5-14(17)18-11/h3-7,9H,2,8H2,1H3,(H,19,20)
InChIKeyGCONPFIKYVEIFO-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.92
Rot. Bonds5

About N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide

N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide (PubChem CID 115496886) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide
PubChem CID115496886
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC NameN-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)c1cccc(F)n1
InChIInChI=1S/C15H14ClFN2O2/c1-2-8-21-13-7-6-10(16)9-12(13)19-15(20)11-4-3-5-14(17)18-11/h3-7,9H,2,8H2,1H3,(H,19,20)
InChIKeyGCONPFIKYVEIFO-UHFFFAOYSA-N
XLogP3.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 113323350
3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
N-(4-chloro-2-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323409
6-fluoro-N-(4-propoxyphenyl)pyridine-2-carboxamide
CID 115497769
N-[5-chloro-2-(dimethylamino)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497281
6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide
CID 62233815
3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide
CID 66462452
6-bromo-N-(5-chloro-2-propoxyphenyl)pyridine-3-carboxamide
CID 66462301
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
2-N-butyl-6-N-(5-chloro-2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094314
6-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 115496741
6-N-(5-chloro-2-methoxyphenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095751

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide (CID 115496886) is N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide is CCCOc1ccc(Cl)cc1NC(=O)c1cccc(F)n1.
What is the InChIKey of N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide?
The InChIKey is GCONPFIKYVEIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-2-8-21-13-7-6-10(16)9-12(13)19-15(20)11-4-3-5-14(17)18-11/h3-7,9H,2,8H2,1H3,(H,19,20).
What are the key properties of N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide?
N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide has a molecular weight of 308.74 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 115496886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).