5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide

C17H16ClFN2O2 — CID 4281155

IUPAC5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1c(Oc2ccc(F)cc2)nc(C)c(Cl)c1C
InChIInChI=1S/C17H16ClFN2O2/c1-4-9-20-16(22)14-10(2)15(18)11(3)21-17(14)23-13-7-5-12(19)6-8-13/h4-8H,1,9H2,2-3H3,(H,20,22)
InChIKeyHAERMQSKYDLYGR-UHFFFAOYSA-N
MW334.78 g/mol
LogP4.20
Rot. Bonds5

About 5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide

5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 4281155) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide
PubChem CID4281155
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1c(Oc2ccc(F)cc2)nc(C)c(Cl)c1C
InChIInChI=1S/C17H16ClFN2O2/c1-4-9-20-16(22)14-10(2)15(18)11(3)21-17(14)23-13-7-5-12(19)6-8-13/h4-8H,1,9H2,2-3H3,(H,20,22)
InChIKeyHAERMQSKYDLYGR-UHFFFAOYSA-N
XLogP4.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide (CID 4281155) is 5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1c(Oc2ccc(F)cc2)nc(C)c(Cl)c1C.
What is the InChIKey of 5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is HAERMQSKYDLYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-4-9-20-16(22)14-10(2)15(18)11(3)21-17(14)23-13-7-5-12(19)6-8-13/h4-8H,1,9H2,2-3H3,(H,20,22).
What are the key properties of 5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide?
5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 334.78 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-fluorophenoxy)-4,6-dimethyl-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 4281155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).