(6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate

C23H22FNO2 — CID 58793697

IUPAC(6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCCc1cccc(COC(=O)C(C)c2ccc(-c3ccccc3)c(F)c2)n1
InChIInChI=1S/C23H22FNO2/c1-3-19-10-7-11-20(25-19)15-27-23(26)16(2)18-12-13-21(22(24)14-18)17-8-5-4-6-9-17/h4-14,16H,3,15H2,1-2H3
InChIKeyQEVSWIAJKHLIHI-UHFFFAOYSA-N
MW363.43 g/mol
LogP5.30
Rot. Bonds6

About (6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate

(6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate (PubChem CID 58793697) has the molecular formula C23H22FNO2 and a molecular weight of 363.43 g/mol. Its IUPAC name is (6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate.

Molecular Properties

Compound Name(6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate
PubChem CID58793697
Molecular FormulaC23H22FNO2
Molecular Weight363.43 g/mol
Exact Mass363.16
IUPAC Name(6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate
SMILESCCc1cccc(COC(=O)C(C)c2ccc(-c3ccccc3)c(F)c2)n1
InChIInChI=1S/C23H22FNO2/c1-3-19-10-7-11-20(25-19)15-27-23(26)16(2)18-12-13-21(22(24)14-18)17-8-5-4-6-9-17/h4-14,16H,3,15H2,1-2H3
InChIKeyQEVSWIAJKHLIHI-UHFFFAOYSA-N
XLogP5.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.43
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The IUPAC name of (6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate (CID 58793697) is (6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate.
What is the SMILES notation for (6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The canonical SMILES for (6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate is CCc1cccc(COC(=O)C(C)c2ccc(-c3ccccc3)c(F)c2)n1.
What is the InChIKey of (6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate?
The InChIKey is QEVSWIAJKHLIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO2/c1-3-19-10-7-11-20(25-19)15-27-23(26)16(2)18-12-13-21(22(24)14-18)17-8-5-4-6-9-17/h4-14,16H,3,15H2,1-2H3.
What are the key properties of (6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate?
(6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate has a molecular weight of 363.43 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-2-pyridinyl)methyl 2-(3-fluoro-4-phenylphenyl)propanoate is sourced from PubChem (CID 58793697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).