2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide

C19H17N3O — CID 951761

IUPAC2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1C
InChIInChI=1S/C19H17N3O/c1-13-7-8-16(9-14(13)2)21-19(23)12-22-11-15(10-20)17-5-3-4-6-18(17)22/h3-9,11H,12H2,1-2H3,(H,21,23)
InChIKeyYCNPXQVSDYZCGF-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.77
Rot. Bonds3

About 2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide

2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 951761) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID951761
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1C
InChIInChI=1S/C19H17N3O/c1-13-7-8-16(9-14(13)2)21-19(23)12-22-11-15(10-20)17-5-3-4-6-18(17)22/h3-9,11H,12H2,1-2H3,(H,21,23)
InChIKeyYCNPXQVSDYZCGF-UHFFFAOYSA-N
XLogP3.77
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanoindol-1-yl)-N-propylacetamide
CID 46858778
2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide
CID 46858714
N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935668
N-benzyl-2-(3-cyanoindol-1-yl)acetamide
CID 668666
methyl 2-[[2-(3-cyanoindol-1-yl)acetyl]amino]benzoate
CID 46858720
2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 46858731
2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide
CID 46858702
2-(3-benzoyl-6-ethyl-4-oxoquinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16825289
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
N-(3,4-dimethylphenyl)-2-[6-methyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 16825382
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide
CID 4171162

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide (CID 951761) is 2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cc(C#N)c3ccccc32)cc1C.
What is the InChIKey of 2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is YCNPXQVSDYZCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-7-8-16(9-14(13)2)21-19(23)12-22-11-15(10-20)17-5-3-4-6-18(17)22/h3-9,11H,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 303.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 951761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).