1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide

C22H17N3O3 — CID 109057633

IUPAC1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1
InChIInChI=1S/C22H17N3O3/c1-28-20-10-4-9-19(13-20)25-22(27)17-7-3-6-16(12-17)21(26)24-18-8-2-5-15(11-18)14-23/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyRWBVGCGKBRPFSV-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.07
Rot. Bonds5

About 1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide

1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057633) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109057633
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1
InChIInChI=1S/C22H17N3O3/c1-28-20-10-4-9-19(13-20)25-22(27)17-7-3-6-16(12-17)21(26)24-18-8-2-5-15(11-18)14-23/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyRWBVGCGKBRPFSV-UHFFFAOYSA-N
XLogP4.07
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057632
methyl 4-[[3-[(3-cyanophenyl)carbamoyl]benzoyl]amino]benzoate
CID 109057740
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969395
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
2-N-(4-cyanophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093044
3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055476
3-(3-hydroxyprop-1-ynyl)-N-(3-methoxyphenyl)benzamide
CID 60815302
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide (CID 109057633) is 1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide is COc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)c1.
What is the InChIKey of 1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is RWBVGCGKBRPFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-28-20-10-4-9-19(13-20)25-22(27)17-7-3-6-16(12-17)21(26)24-18-8-2-5-15(11-18)14-23/h2-13H,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 371.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).