3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide

C17H14N2O2 — CID 103816870

IUPAC3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESN#Cc1cccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1
InChIInChI=1S/C17H14N2O2/c18-10-11-4-3-6-13(8-11)17(21)19-16-14-7-2-1-5-12(14)9-15(16)20/h1-8,15-16,20H,9H2,(H,19,21)/t15-,16+/m1/s1
InChIKeyURZPELGDSNVBKN-CVEARBPZSA-N
MW278.31 g/mol
LogP1.95
Rot. Bonds2

About 3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide

3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 103816870) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID103816870
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESN#Cc1cccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1
InChIInChI=1S/C17H14N2O2/c18-10-11-4-3-6-13(8-11)17(21)19-16-14-7-2-1-5-12(14)9-15(16)20/h1-8,15-16,20H,9H2,(H,19,21)/t15-,16+/m1/s1
InChIKeyURZPELGDSNVBKN-CVEARBPZSA-N
XLogP1.95
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61367973
3-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 61368559
3-cyano-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630273
3-(chloromethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107216797
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-nitrobenzamide
CID 110903627
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yloxybenzamide
CID 136512292
5-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-3-carboxamide
CID 103816737
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 61369497
1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 60568438
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 102978740

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide (CID 103816870) is 3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide is N#Cc1cccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1.
What is the InChIKey of 3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is URZPELGDSNVBKN-CVEARBPZSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-10-11-4-3-6-13(8-11)17(21)19-16-14-7-2-1-5-12(14)9-15(16)20/h1-8,15-16,20H,9H2,(H,19,21)/t15-,16+/m1/s1.
What are the key properties of 3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide?
3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 278.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 103816870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).