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

C23H14F2N4O3 — CID 141157181

IUPAC1-N,3-N-bis(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1C(=O)Nc1cc(F)cc(C#N)c1
InChIInChI=1S/C23H14F2N4O3/c1-32-21-3-2-15(22(30)28-18-6-13(11-26)4-16(24)9-18)8-20(21)23(31)29-19-7-14(12-27)5-17(25)10-19/h2-10H,1H3,(H,28,30)(H,29,31)
InChIKeyIAQJBPHCJGGFGD-UHFFFAOYSA-N
MW432.39 g/mol
LogP4.22
Rot. Bonds5

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

1-N,3-N-bis(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide (PubChem CID 141157181) has the molecular formula C23H14F2N4O3 and a molecular weight of 432.39 g/mol. Its IUPAC name is 1-N,3-N-bis(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
PubChem CID141157181
Molecular FormulaC23H14F2N4O3
Molecular Weight432.39 g/mol
Exact Mass432.10
IUPAC Name1-N,3-N-bis(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
SMILESCOc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1C(=O)Nc1cc(F)cc(C#N)c1
InChIInChI=1S/C23H14F2N4O3/c1-32-21-3-2-15(22(30)28-18-6-13(11-26)4-16(24)9-18)8-20(21)23(31)29-19-7-14(12-27)5-17(25)10-19/h2-10H,1H3,(H,28,30)(H,29,31)
InChIKeyIAQJBPHCJGGFGD-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

1-N,3-N-bis(5-cyano-2-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157170
N-(3,5-difluorophenyl)-3,4-dimethoxybenzamide
CID 7336959
N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 80968208
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726945
5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide
CID 110764577
N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide
CID 31115517
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
1-N,3-N-bis(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157110
3-amino-N-(3-chloro-5-fluorophenyl)-4-methoxybenzamide
CID 107363446
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770
N-(3-cyano-5-fluorophenyl)-4-[(3-fluoro-4-methylphenyl)methoxy]benzamide
CID 178151488

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide (CID 141157181) is 1-N,3-N-bis(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide is COc1ccc(C(=O)Nc2cc(F)cc(C#N)c2)cc1C(=O)Nc1cc(F)cc(C#N)c1.
What is the InChIKey of 1-N,3-N-bis(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide?
The InChIKey is IAQJBPHCJGGFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N4O3/c1-32-21-3-2-15(22(30)28-18-6-13(11-26)4-16(24)9-18)8-20(21)23(31)29-19-7-14(12-27)5-17(25)10-19/h2-10H,1H3,(H,28,30)(H,29,31).
What are the key properties of 1-N,3-N-bis(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide?
1-N,3-N-bis(3-cyano-5-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(3-cyano-5-fluorophenyl)-4-methoxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 141157181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).