(2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide

C20H18BrFN2O4 — CID 46831211

IUPAC(2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESCOc1cc(Br)c(NC(=O)N2C=CC(=O)C[C@H]2c2ccc(F)cc2)cc1OC
InChIInChI=1S/C20H18BrFN2O4/c1-27-18-10-15(21)16(11-19(18)28-2)23-20(26)24-8-7-14(25)9-17(24)12-3-5-13(22)6-4-12/h3-8,10-11,17H,9H2,1-2H3,(H,23,26)/t17-/m0/s1
InChIKeyGPPBDRUBCOWLIV-KRWDZBQOSA-N
MW449.28 g/mol
LogP4.67
Rot. Bonds4

About (2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide

(2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide (PubChem CID 46831211) has the molecular formula C20H18BrFN2O4 and a molecular weight of 449.28 g/mol. Its IUPAC name is (2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
PubChem CID46831211
Molecular FormulaC20H18BrFN2O4
Molecular Weight449.28 g/mol
Exact Mass448.04
IUPAC Name(2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
SMILESCOc1cc(Br)c(NC(=O)N2C=CC(=O)C[C@H]2c2ccc(F)cc2)cc1OC
InChIInChI=1S/C20H18BrFN2O4/c1-27-18-10-15(21)16(11-19(18)28-2)23-20(26)24-8-7-14(25)9-17(24)12-3-5-13(22)6-4-12/h3-8,10-11,17H,9H2,1-2H3,(H,23,26)/t17-/m0/s1
InChIKeyGPPBDRUBCOWLIV-KRWDZBQOSA-N
XLogP4.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.28
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The IUPAC name of (2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide (CID 46831211) is (2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide is COc1cc(Br)c(NC(=O)N2C=CC(=O)C[C@H]2c2ccc(F)cc2)cc1OC.
What is the InChIKey of (2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
The InChIKey is GPPBDRUBCOWLIV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18BrFN2O4/c1-27-18-10-15(21)16(11-19(18)28-2)23-20(26)24-8-7-14(25)9-17(24)12-3-5-13(22)6-4-12/h3-8,10-11,17H,9H2,1-2H3,(H,23,26)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide?
(2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide has a molecular weight of 449.28 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-bromo-4,5-dimethoxyphenyl)-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide is sourced from PubChem (CID 46831211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).