N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide

C19H17N3O — CID 598294

IUPACN-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide
SMILESCC(=O)N(Cc1c(C#N)c2ccccc2n1C)c1ccccc1
InChIInChI=1S/C19H17N3O/c1-14(23)22(15-8-4-3-5-9-15)13-19-17(12-20)16-10-6-7-11-18(16)21(19)2/h3-11H,13H2,1-2H3
InChIKeyXDBWUVZQQYNDHE-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.60
Rot. Bonds3

About N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide

N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide (PubChem CID 598294) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide
PubChem CID598294
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide
SMILESCC(=O)N(Cc1c(C#N)c2ccccc2n1C)c1ccccc1
InChIInChI=1S/C19H17N3O/c1-14(23)22(15-8-4-3-5-9-15)13-19-17(12-20)16-10-6-7-11-18(16)21(19)2/h3-11H,13H2,1-2H3
InChIKeyXDBWUVZQQYNDHE-UHFFFAOYSA-N
XLogP3.60
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Mebhydrolin
CID 22530
Ethanone, 1-(1H-indol-1-yl)-
CID 68470
N-ethyl carbazole
CID 6836
1-Methyl-2-phenylindole
CID 77095
Luzindole
CID 122162
1-Methyl-1H-indole-3-carbonitrile
CID 2307681
3-Acetamido-9-ethylcarbazole
CID 249414
N-Methylcarbazole
CID 15142
9-Acetyl-9H-carbazole
CID 95837
9H-Carbazole, 9-(1-methylethyl)-
CID 73873
N-Butylcarbazole
CID 73872
9-Propyl-9H-carbazole
CID 289657

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide?
The IUPAC name of N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide (CID 598294) is N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide.
What is the SMILES notation for N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide?
The canonical SMILES for N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide is CC(=O)N(Cc1c(C#N)c2ccccc2n1C)c1ccccc1.
What is the InChIKey of N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide?
The InChIKey is XDBWUVZQQYNDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-14(23)22(15-8-4-3-5-9-15)13-19-17(12-20)16-10-6-7-11-18(16)21(19)2/h3-11H,13H2,1-2H3.
What are the key properties of N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide?
N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide has a molecular weight of 303.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenylacetamide is sourced from PubChem (CID 598294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).