3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide

C19H17N3O — CID 82179549

IUPAC3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESN#CCc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H17N3O/c20-10-8-14-4-3-5-15(12-14)19(23)21-11-9-16-13-22-18-7-2-1-6-17(16)18/h1-7,12-13,22H,8-9,11H2,(H,21,23)
InChIKeyWCOXQTXSRLKIRX-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.21
Rot. Bonds5

About 3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide

3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 82179549) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID82179549
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESN#CCc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H17N3O/c20-10-8-14-4-3-5-15(12-14)19(23)21-11-9-16-13-22-18-7-2-1-6-17(16)18/h1-7,12-13,22H,8-9,11H2,(H,21,23)
InChIKeyWCOXQTXSRLKIRX-UHFFFAOYSA-N
XLogP3.21
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050911
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245340
3-(2-amino-2-oxoethoxy)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 35559463
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-cyanophenyl)methyl]benzamide
CID 67974504
N-[2-(1H-indol-3-yl)ethyl]-3-(1H-pyrazol-5-yl)benzamide
CID 119058397
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 82179549) is 3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide is N#CCc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is WCOXQTXSRLKIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c20-10-8-14-4-3-5-15(12-14)19(23)21-11-9-16-13-22-18-7-2-1-6-17(16)18/h1-7,12-13,22H,8-9,11H2,(H,21,23).
What are the key properties of 3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 303.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 82179549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).