N-benzyl-2-(3-cyanoindol-1-yl)acetamide

C18H15N3O — CID 668666

IUPACN-benzyl-2-(3-cyanoindol-1-yl)acetamide
SMILESN#Cc1cn(CC(=O)NCc2ccccc2)c2ccccc12
InChIInChI=1S/C18H15N3O/c19-10-15-12-21(17-9-5-4-8-16(15)17)13-18(22)20-11-14-6-2-1-3-7-14/h1-9,12H,11,13H2,(H,20,22)
InChIKeyBRHATXQMGBFITR-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.83
Rot. Bonds4

About N-benzyl-2-(3-cyanoindol-1-yl)acetamide

N-benzyl-2-(3-cyanoindol-1-yl)acetamide (PubChem CID 668666) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-benzyl-2-(3-cyanoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-cyanoindol-1-yl)acetamide
PubChem CID668666
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-benzyl-2-(3-cyanoindol-1-yl)acetamide
SMILESN#Cc1cn(CC(=O)NCc2ccccc2)c2ccccc12
InChIInChI=1S/C18H15N3O/c19-10-15-12-21(17-9-5-4-8-16(15)17)13-18(22)20-11-14-6-2-1-3-7-14/h1-9,12H,11,13H2,(H,20,22)
InChIKeyBRHATXQMGBFITR-UHFFFAOYSA-N
XLogP2.83
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide
CID 46858702
2-(3-cyanoindol-1-yl)-N-propylacetamide
CID 46858778
2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide
CID 46858714
2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2912319
2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 951761
methyl 2-[[2-(3-cyanoindol-1-yl)acetyl]amino]benzoate
CID 46858720
2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 46858731
2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide
CID 114015835
6-(3-cyanoindol-1-yl)hexanoic acid
CID 71567711
N-benzyl-2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)acetamide
CID 82099380
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
2-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]indol-1-yl]acetic acid
CID 5446034

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-cyanoindol-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(3-cyanoindol-1-yl)acetamide (CID 668666) is N-benzyl-2-(3-cyanoindol-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-cyanoindol-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(3-cyanoindol-1-yl)acetamide is N#Cc1cn(CC(=O)NCc2ccccc2)c2ccccc12.
What is the InChIKey of N-benzyl-2-(3-cyanoindol-1-yl)acetamide?
The InChIKey is BRHATXQMGBFITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c19-10-15-12-21(17-9-5-4-8-16(15)17)13-18(22)20-11-14-6-2-1-3-7-14/h1-9,12H,11,13H2,(H,20,22).
What are the key properties of N-benzyl-2-(3-cyanoindol-1-yl)acetamide?
N-benzyl-2-(3-cyanoindol-1-yl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-cyanoindol-1-yl)acetamide is sourced from PubChem (CID 668666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).