2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide

C14H12ClFN2O — CID 103891458

IUPAC2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(F)cnc2Cl)cc1
InChIInChI=1S/C14H12ClFN2O/c1-2-9-3-5-11(6-4-9)18-14(19)12-7-10(16)8-17-13(12)15/h3-8H,2H2,1H3,(H,18,19)
InChIKeyXPNYRASZVSROED-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.69
Rot. Bonds3

About 2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide

2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide (PubChem CID 103891458) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
PubChem CID103891458
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(F)cnc2Cl)cc1
InChIInChI=1S/C14H12ClFN2O/c1-2-9-3-5-11(6-4-9)18-14(19)12-7-10(16)8-17-13(12)15/h3-8H,2H2,1H3,(H,18,19)
InChIKeyXPNYRASZVSROED-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757101
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87757105
2-chloro-N-(4-cyanophenyl)-5-fluoropyridine-3-carboxamide
CID 103893052
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-chloro-N-(3-chloro-4-hydroxyphenyl)-5-fluoropyridine-3-carboxamide
CID 114034323
N-(3-bromo-4-chlorophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 114034261
2-chloro-N-[6-(dimethylamino)-3-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 103893174
2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 114034177
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 103891962

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide (CID 103891458) is 2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide is CCc1ccc(NC(=O)c2cc(F)cnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is XPNYRASZVSROED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-2-9-3-5-11(6-4-9)18-14(19)12-7-10(16)8-17-13(12)15/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide?
2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide has a molecular weight of 278.71 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethylphenyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 103891458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).