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

C21H14F2N4O5 — CID 141157179

IUPAC1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(N=O)c2F)cc1C(=O)Nc1cccc(N=O)c1F
InChIInChI=1S/C21H14F2N4O5/c1-32-17-9-8-11(20(28)24-13-4-2-6-15(26-30)18(13)22)10-12(17)21(29)25-14-5-3-7-16(27-31)19(14)23/h2-10H,1H3,(H,24,28)(H,25,29)
InChIKeyPGAZJEZTUOZFNE-UHFFFAOYSA-N
MW440.36 g/mol
LogP5.27
Rot. Bonds7

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

1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide (PubChem CID 141157179) 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-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide
PubChem CID141157179
Molecular FormulaC21H14F2N4O5
Molecular Weight440.36 g/mol
Exact Mass440.09
IUPAC Name1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(N=O)c2F)cc1C(=O)Nc1cccc(N=O)c1F
InChIInChI=1S/C21H14F2N4O5/c1-32-17-9-8-11(20(28)24-13-4-2-6-15(26-30)18(13)22)10-12(17)21(29)25-14-5-3-7-16(27-31)19(14)23/h2-10H,1H3,(H,24,28)(H,25,29)
InChIKeyPGAZJEZTUOZFNE-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-fluoro-3-nitrophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157410
1-N,3-N-bis(3-benzyl-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157198
1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157229
1-N,3-N-bis(3-fluoro-2-nitrophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157429
1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155437
N-(2-fluoro-3-methoxyphenyl)-4-methylbenzamide
CID 142437352
1-N,3-N-bis(2-chloro-6-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157200
1-N,3-N-bis(3-cyano-2-ethylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155439
1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157110
4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide
CID 104782496
1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157170
N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide
CID 51145763

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide (CID 141157179) is 1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide is COc1ccc(C(=O)Nc2cccc(N=O)c2F)cc1C(=O)Nc1cccc(N=O)c1F.
What is the InChIKey of 1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide?
The InChIKey is PGAZJEZTUOZFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O5/c1-32-17-9-8-11(20(28)24-13-4-2-6-15(26-30)18(13)22)10-12(17)21(29)25-14-5-3-7-16(27-31)19(14)23/h2-10H,1H3,(H,24,28)(H,25,29).
What are the key properties of 1-N,3-N-bis(2-fluoro-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide?
1-N,3-N-bis(2-fluoro-3-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-3-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 141157179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).