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

C17H14N2O — CID 47126975

IUPAC4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide
SMILESN#Cc1ccc(C(=O)NC2CCc3ccccc32)cc1
InChIInChI=1S/C17H14N2O/c18-11-12-5-7-14(8-6-12)17(20)19-16-10-9-13-3-1-2-4-15(13)16/h1-8,16H,9-10H2,(H,19,20)
InChIKeyCEHFVPQKPFZLHC-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.98
Rot. Bonds2

About 4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide

4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide (PubChem CID 47126975) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide
PubChem CID47126975
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide
SMILESN#Cc1ccc(C(=O)NC2CCc3ccccc32)cc1
InChIInChI=1S/C17H14N2O/c18-11-12-5-7-14(8-6-12)17(20)19-16-10-9-13-3-1-2-4-15(13)16/h1-8,16H,9-10H2,(H,19,20)
InChIKeyCEHFVPQKPFZLHC-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-4-(methylsulfamoyl)benzamide
CID 17444395
4-cyano-N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26006701
N-(2,3-dihydro-1H-inden-1-yl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299494
2-[[(4-cyanoanilino)-(2,3-dihydro-1H-inden-1-ylamino)methylidene]amino]acetic acid
CID 14230964
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-cyanobenzoate
CID 2592300
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25467388
N-(2,3-dihydro-1H-inden-1-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297408
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
The IUPAC name of 4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide (CID 47126975) is 4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
The canonical SMILES for 4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide is N#Cc1ccc(C(=O)NC2CCc3ccccc32)cc1.
What is the InChIKey of 4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
The InChIKey is CEHFVPQKPFZLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c18-11-12-5-7-14(8-6-12)17(20)19-16-10-9-13-3-1-2-4-15(13)16/h1-8,16H,9-10H2,(H,19,20).
What are the key properties of 4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide has a molecular weight of 262.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2,3-dihydro-1H-inden-1-yl)benzamide is sourced from PubChem (CID 47126975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).