3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide

C17H14N2O — CID 2635737

IUPAC3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H14N2O/c18-11-12-3-1-6-15(9-12)17(20)19-16-8-7-13-4-2-5-14(13)10-16/h1,3,6-10H,2,4-5H2,(H,19,20)
InChIKeyIUSZWAFLDYIXHH-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.30
Rot. Bonds2

About 3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide

3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide (PubChem CID 2635737) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide
PubChem CID2635737
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H14N2O/c18-11-12-3-1-6-15(9-12)17(20)19-16-8-7-13-4-2-5-14(13)10-16/h1,3,6-10H,2,4-5H2,(H,19,20)
InChIKeyIUSZWAFLDYIXHH-UHFFFAOYSA-N
XLogP3.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-cyanophenyl)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide
CID 110766779
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide
CID 103220953
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115377455
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
The IUPAC name of 3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide (CID 2635737) is 3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
The canonical SMILES for 3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide is N#Cc1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
The InChIKey is IUSZWAFLDYIXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c18-11-12-3-1-6-15(9-12)17(20)19-16-8-7-13-4-2-5-14(13)10-16/h1,3,6-10H,2,4-5H2,(H,19,20).
What are the key properties of 3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide has a molecular weight of 262.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide is sourced from PubChem (CID 2635737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).