3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide

C22H17N3O3 — CID 109057632

IUPAC3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cccc(C(=O)Nc3ccccc3C#N)c2)c1
InChIInChI=1S/C22H17N3O3/c1-28-19-10-5-9-18(13-19)24-21(26)15-7-4-8-16(12-15)22(27)25-20-11-3-2-6-17(20)14-23/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyUNEAOEGHKTTYPA-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.07
Rot. Bonds5

About 3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide

3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057632) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109057632
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cccc(C(=O)Nc3ccccc3C#N)c2)c1
InChIInChI=1S/C22H17N3O3/c1-28-19-10-5-9-18(13-19)24-21(26)15-7-4-8-16(12-15)22(27)25-20-11-3-2-6-17(20)14-23/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyUNEAOEGHKTTYPA-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

methyl 3-[[3-[(2-cyanophenyl)carbamoyl]benzoyl]amino]benzoate
CID 109057734
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
3-N-(2-cyanophenyl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056947
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
N-(2-cyanophenyl)-3-propan-2-yloxybenzamide
CID 924558
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
N-(2-cyanophenyl)-3-phenoxybenzamide
CID 17167885
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
3-(2-cyanoanilino)-N-(3-methoxyphenyl)propanamide
CID 109039534
N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337510

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide (CID 109057632) is 3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide is COc1cccc(NC(=O)c2cccc(C(=O)Nc3ccccc3C#N)c2)c1.
What is the InChIKey of 3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is UNEAOEGHKTTYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-28-19-10-5-9-18(13-19)24-21(26)15-7-4-8-16(12-15)22(27)25-20-11-3-2-6-17(20)14-23/h2-13H,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide?
3-N-(2-cyanophenyl)-1-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 3-N-(2-cyanophenyl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).