1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide

C23H14F2N4O3 — CID 141157170

IUPAC1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1C(=O)Nc1cc(C#N)ccc1F
InChIInChI=1S/C23H14F2N4O3/c1-32-21-7-4-15(22(30)28-19-8-13(11-26)2-5-17(19)24)10-16(21)23(31)29-20-9-14(12-27)3-6-18(20)25/h2-10H,1H3,(H,28,30)(H,29,31)
InChIKeyRQQTZFSPCLUFOD-UHFFFAOYSA-N
MW432.39 g/mol
LogP4.22
Rot. Bonds5

About 1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide

1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide (PubChem CID 141157170) has the molecular formula C23H14F2N4O3 and a molecular weight of 432.39 g/mol. Its IUPAC name is 1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
PubChem CID141157170
Molecular FormulaC23H14F2N4O3
Molecular Weight432.39 g/mol
Exact Mass432.10
IUPAC Name1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1C(=O)Nc1cc(C#N)ccc1F
InChIInChI=1S/C23H14F2N4O3/c1-32-21-7-4-15(22(30)28-19-8-13(11-26)2-5-17(19)24)10-16(21)23(31)29-20-9-14(12-27)3-6-18(20)25/h2-10H,1H3,(H,28,30)(H,29,31)
InChIKeyRQQTZFSPCLUFOD-UHFFFAOYSA-N
XLogP4.22
TPSA115.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
1-N,3-N-bis(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157181
N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 81287674
3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104854951
5-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811217
N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 80968208
N-(5-cyano-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 49182836
N-(5-cyano-2-methoxyphenyl)pyridine-4-carboxamide
CID 49183025
1-N,3-N-bis(2-fluoro-4-nitrosophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157229
1-N,3-N-bis(3-cyano-2-ethylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155439
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157110

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide (CID 141157170) is 1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide is COc1ccc(C(=O)Nc2cc(C#N)ccc2F)cc1C(=O)Nc1cc(C#N)ccc1F.
What is the InChIKey of 1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide?
The InChIKey is RQQTZFSPCLUFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N4O3/c1-32-21-7-4-15(22(30)28-19-8-13(11-26)2-5-17(19)24)10-16(21)23(31)29-20-9-14(12-27)3-6-18(20)25/h2-10H,1H3,(H,28,30)(H,29,31).
What are the key properties of 1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide?
1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide has a molecular weight of 432.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 141157170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).