N-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide

C19H12F2N2O5 — CID 19836482

IUPACN-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(F)cc2F)c(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C19H12F2N2O5/c1-10-7-16(24)17(19(25)22-15-6-5-12(20)9-14(15)21)18(28-10)11-3-2-4-13(8-11)23(26)27/h2-9H,1H3,(H,22,25)
InChIKeyZOCFZOMJUZTMGP-UHFFFAOYSA-N
MW386.31 g/mol
LogP4.05
Rot. Bonds4

About N-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide

N-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide (PubChem CID 19836482) has the molecular formula C19H12F2N2O5 and a molecular weight of 386.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide
PubChem CID19836482
Molecular FormulaC19H12F2N2O5
Molecular Weight386.31 g/mol
Exact Mass386.07
IUPAC NameN-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(F)cc2F)c(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C19H12F2N2O5/c1-10-7-16(24)17(19(25)22-15-6-5-12(20)9-14(15)21)18(28-10)11-3-2-4-13(8-11)23(26)27/h2-9H,1H3,(H,22,25)
InChIKeyZOCFZOMJUZTMGP-UHFFFAOYSA-N
XLogP4.05
TPSA102.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-4-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 2233721
4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide
CID 115745847
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
CID 773721
N-(2,4-difluorophenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3856940
N-[(2-fluoro-4-iodophenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 17115383
N-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide
CID 70867918
4-fluoro-2-methyl-1-(3-nitrophenyl)benzene
CID 57155248
2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 108808620
N-(5-fluoro-2-hydroxyphenyl)-3-nitrobenzamide
CID 90714767

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide (CID 19836482) is N-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccc(F)cc2F)c(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide?
The InChIKey is ZOCFZOMJUZTMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2O5/c1-10-7-16(24)17(19(25)22-15-6-5-12(20)9-14(15)21)18(28-10)11-3-2-4-13(8-11)23(26)27/h2-9H,1H3,(H,22,25).
What are the key properties of N-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide?
N-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide has a molecular weight of 386.31 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-methyl-2-(3-nitrophenyl)-4-oxopyran-3-carboxamide is sourced from PubChem (CID 19836482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).