2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide

C23H18F2N2O4 — CID 158006395

IUPAC2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide
SMILESCc1c(O[C@@H](c2ccncc2)c2ccc(C(N)=O)c(F)c2)c(F)cc2c1OCCC2=O
InChIInChI=1S/C23H18F2N2O4/c1-12-20-16(19(28)6-9-30-20)11-18(25)21(12)31-22(13-4-7-27-8-5-13)14-2-3-15(23(26)29)17(24)10-14/h2-5,7-8,10-11,22H,6,9H2,1H3,(H2,26,29)/t22-/m0/s1
InChIKeyFEIMPSDFSUCYFK-QFIPXVFZSA-N
MW424.40 g/mol
LogP3.90
Rot. Bonds5

About 2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide

2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide (PubChem CID 158006395) has the molecular formula C23H18F2N2O4 and a molecular weight of 424.40 g/mol. Its IUPAC name is 2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide
PubChem CID158006395
Molecular FormulaC23H18F2N2O4
Molecular Weight424.40 g/mol
Exact Mass424.12
IUPAC Name2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide
SMILESCc1c(O[C@@H](c2ccncc2)c2ccc(C(N)=O)c(F)c2)c(F)cc2c1OCCC2=O
InChIInChI=1S/C23H18F2N2O4/c1-12-20-16(19(28)6-9-30-20)11-18(25)21(12)31-22(13-4-7-27-8-5-13)14-2-3-15(23(26)29)17(24)10-14/h2-5,7-8,10-11,22H,6,9H2,1H3,(H2,26,29)/t22-/m0/s1
InChIKeyFEIMPSDFSUCYFK-QFIPXVFZSA-N
XLogP3.90
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide?
The IUPAC name of 2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide (CID 158006395) is 2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide.
What is the SMILES notation for 2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide?
The canonical SMILES for 2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide is Cc1c(O[C@@H](c2ccncc2)c2ccc(C(N)=O)c(F)c2)c(F)cc2c1OCCC2=O.
What is the InChIKey of 2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide?
The InChIKey is FEIMPSDFSUCYFK-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H18F2N2O4/c1-12-20-16(19(28)6-9-30-20)11-18(25)21(12)31-22(13-4-7-27-8-5-13)14-2-3-15(23(26)29)17(24)10-14/h2-5,7-8,10-11,22H,6,9H2,1H3,(H2,26,29)/t22-/m0/s1.
What are the key properties of 2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide?
2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide has a molecular weight of 424.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(S)-(6-fluoro-8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide is sourced from PubChem (CID 158006395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).