3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide

C17H18N2O2 — CID 102978740

IUPAC3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1N
InChIInChI=1S/C17H18N2O2/c1-10-6-7-12(8-14(10)18)17(21)19-16-13-5-3-2-4-11(13)9-15(16)20/h2-8,15-16,20H,9,18H2,1H3,(H,19,21)/t15-,16+/m1/s1
InChIKeyZOLIDXSWWFQQOR-CVEARBPZSA-N
MW282.34 g/mol
LogP1.97
Rot. Bonds2

About 3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide

3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide (PubChem CID 102978740) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
PubChem CID102978740
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1N
InChIInChI=1S/C17H18N2O2/c1-10-6-7-12(8-14(10)18)17(21)19-16-13-5-3-2-4-11(13)9-15(16)20/h2-8,15-16,20H,9,18H2,1H3,(H,19,21)/t15-,16+/m1/s1
InChIKeyZOLIDXSWWFQQOR-CVEARBPZSA-N
XLogP1.97
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide;ethane
CID 144548156
4-chloro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 115694749
4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide
CID 103816885
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methyl-4-nitrobenzamide
CID 78893635
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
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide
CID 141366489
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-imidazol-1-yl-4-methylbenzamide
CID 141366491
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 65311609
3-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methylbenzamide
CID 111696432
4-bromo-3-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103860602

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide?
The IUPAC name of 3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide (CID 102978740) is 3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1N.
What is the InChIKey of 3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide?
The InChIKey is ZOLIDXSWWFQQOR-CVEARBPZSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10-6-7-12(8-14(10)18)17(21)19-16-13-5-3-2-4-11(13)9-15(16)20/h2-8,15-16,20H,9,18H2,1H3,(H,19,21)/t15-,16+/m1/s1.
What are the key properties of 3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide?
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide has a molecular weight of 282.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide is sourced from PubChem (CID 102978740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).