4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide

C22H17N3O — CID 38748673

IUPAC4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2N2CCc3ccccc32)cc1
InChIInChI=1S/C22H17N3O/c23-15-16-9-11-18(12-10-16)22(26)24-19-6-2-4-8-21(19)25-14-13-17-5-1-3-7-20(17)25/h1-12H,13-14H2,(H,24,26)
InChIKeyVKEMTMCAGDKTKR-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.50
Rot. Bonds3

About 4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide

4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide (PubChem CID 38748673) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide
PubChem CID38748673
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2N2CCc3ccccc32)cc1
InChIInChI=1S/C22H17N3O/c23-15-16-9-11-18(12-10-16)22(26)24-19-6-2-4-8-21(19)25-14-13-17-5-1-3-7-20(17)25/h1-12H,13-14H2,(H,24,26)
InChIKeyVKEMTMCAGDKTKR-UHFFFAOYSA-N
XLogP4.50
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43066807
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4-cyano-N-(2-nitrophenyl)benzamide
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4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide
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4-cyano-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993216
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CID 38749018

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide (CID 38748673) is 4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide is N#Cc1ccc(C(=O)Nc2ccccc2N2CCc3ccccc32)cc1.
What is the InChIKey of 4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide?
The InChIKey is VKEMTMCAGDKTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c23-15-16-9-11-18(12-10-16)22(26)24-19-6-2-4-8-21(19)25-14-13-17-5-1-3-7-20(17)25/h1-12H,13-14H2,(H,24,26).
What are the key properties of 4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide?
4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(2,3-dihydroindol-1-yl)phenyl]benzamide is sourced from PubChem (CID 38748673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).