3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide

C18H16N2O2 — CID 71782130

IUPAC3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCC2(O)CCc3ccccc32)c1
InChIInChI=1S/C18H16N2O2/c19-11-13-4-3-6-15(10-13)17(21)20-12-18(22)9-8-14-5-1-2-7-16(14)18/h1-7,10,22H,8-9,12H2,(H,20,21)
InChIKeyWAMLAWMBCFNSQK-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.12
Rot. Bonds3

About 3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide

3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide (PubChem CID 71782130) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide
PubChem CID71782130
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide
SMILESN#Cc1cccc(C(=O)NCC2(O)CCc3ccccc32)c1
InChIInChI=1S/C18H16N2O2/c19-11-13-4-3-6-15(10-13)17(21)20-12-18(22)9-8-14-5-1-2-7-16(14)18/h1-7,10,22H,8-9,12H2,(H,20,21)
InChIKeyWAMLAWMBCFNSQK-UHFFFAOYSA-N
XLogP2.12
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]benzamide
CID 95984813
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95983115
3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 97060754
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
N-[2-[(1-hydroxy-2,3-dihydroinden-1-yl)methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 136522417
3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide
CID 105417747
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide
CID 126769462
methyl 4-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methylcarbamoyl]benzoate
CID 95983100
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,4,6-trimethylbenzamide
CID 90499012
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide
CID 166317885

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide?
The IUPAC name of 3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide (CID 71782130) is 3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide?
The canonical SMILES for 3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide is N#Cc1cccc(C(=O)NCC2(O)CCc3ccccc32)c1.
What is the InChIKey of 3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide?
The InChIKey is WAMLAWMBCFNSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-11-13-4-3-6-15(10-13)17(21)20-12-18(22)9-8-14-5-1-2-7-16(14)18/h1-7,10,22H,8-9,12H2,(H,20,21).
What are the key properties of 3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide?
3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide has a molecular weight of 292.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide is sourced from PubChem (CID 71782130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).