1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide

C20H19N3O2 — CID 108981680

IUPAC1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(NC(=O)C2(C(=O)Nc3ccccc3C#N)CC2)c1C
InChIInChI=1S/C20H19N3O2/c1-13-6-5-9-16(14(13)2)22-18(24)20(10-11-20)19(25)23-17-8-4-3-7-15(17)12-21/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNRVPLAZLRRDQQJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.53
Rot. Bonds4

About 1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide

1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981680) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981680
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(NC(=O)C2(C(=O)Nc3ccccc3C#N)CC2)c1C
InChIInChI=1S/C20H19N3O2/c1-13-6-5-9-16(14(13)2)22-18(24)20(10-11-20)19(25)23-17-8-4-3-7-15(17)12-21/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNRVPLAZLRRDQQJ-UHFFFAOYSA-N
XLogP3.53
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980646
1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980627
1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108982236
1-N'-(2-cyanophenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982432
1-N'-(2-cyanophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983275
1-N'-(2,3-dimethylphenyl)-1-N-[(4-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975263
3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109036006
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
1-N'-(2-cyanophenyl)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,1-dicarboxamide
CID 108983713
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981643
N-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980226
1-N-[4-(diethylamino)-2-methylphenyl]-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981678

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide (CID 108981680) is 1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide is Cc1cccc(NC(=O)C2(C(=O)Nc3ccccc3C#N)CC2)c1C.
What is the InChIKey of 1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is NRVPLAZLRRDQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-6-5-9-16(14(13)2)22-18(24)20(10-11-20)19(25)23-17-8-4-3-7-15(17)12-21/h3-9H,10-11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-cyanophenyl)-1-N'-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).