1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide

C21H14F2N4O5 — CID 141157229

IUPAC1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(N=O)cc2F)cc1C(=O)Nc1ccc(N=O)cc1F
InChIInChI=1S/C21H14F2N4O5/c1-32-19-7-2-11(20(28)24-17-5-3-12(26-30)9-15(17)22)8-14(19)21(29)25-18-6-4-13(27-31)10-16(18)23/h2-10H,1H3,(H,24,28)(H,25,29)
InChIKeyAKOCFCLEXUUYFH-UHFFFAOYSA-N
MW440.36 g/mol
LogP5.27
Rot. Bonds7

About 1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide

1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide (PubChem CID 141157229) has the molecular formula C21H14F2N4O5 and a molecular weight of 440.36 g/mol. Its IUPAC name is 1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide
PubChem CID141157229
Molecular FormulaC21H14F2N4O5
Molecular Weight440.36 g/mol
Exact Mass440.09
IUPAC Name1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(N=O)cc2F)cc1C(=O)Nc1ccc(N=O)cc1F
InChIInChI=1S/C21H14F2N4O5/c1-32-19-7-2-11(20(28)24-17-5-3-12(26-30)9-15(17)22)8-14(19)21(29)25-18-6-4-13(27-31)10-16(18)23/h2-10H,1H3,(H,24,28)(H,25,29)
InChIKeyAKOCFCLEXUUYFH-UHFFFAOYSA-N
XLogP5.27
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.36
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-N,3-N-bis(2-chloro-6-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157200
1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157179
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157110
1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157170
1-N,3-N-bis(3-fluoro-2-nitrophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157429
1-N,3-N-bis(2-fluoro-3-nitrophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157410
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673
N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
CID 26690340
N-(2-fluoro-4-hydroxyphenyl)-3-methoxy-4-methylbenzamide
CID 64795336
1-N,3-N-bis(2-chloro-6-fluoro-4-hydroxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157432
N-(2-fluoro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 26702654

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide (CID 141157229) is 1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide is COc1ccc(C(=O)Nc2ccc(N=O)cc2F)cc1C(=O)Nc1ccc(N=O)cc1F.
What is the InChIKey of 1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide?
The InChIKey is AKOCFCLEXUUYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O5/c1-32-19-7-2-11(20(28)24-17-5-3-12(26-30)9-15(17)22)8-14(19)21(29)25-18-6-4-13(27-31)10-16(18)23/h2-10H,1H3,(H,24,28)(H,25,29).
What are the key properties of 1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide?
1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide has a molecular weight of 440.36 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 141157229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).