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

C18H19NO2 — CID 103816856

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1C
InChIInChI=1S/C18H19NO2/c1-11-6-5-9-14(12(11)2)18(21)19-17-15-8-4-3-7-13(15)10-16(17)20/h3-9,16-17,20H,10H2,1-2H3,(H,19,21)/t16-,17+/m1/s1
InChIKeyIHJSMBVHRIEICJ-SJORKVTESA-N
MW281.36 g/mol
LogP2.69
Rot. Bonds2

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

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide (PubChem CID 103816856) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide
PubChem CID103816856
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1C
InChIInChI=1S/C18H19NO2/c1-11-6-5-9-14(12(11)2)18(21)19-17-15-8-4-3-7-13(15)10-16(17)20/h3-9,16-17,20H,10H2,1-2H3,(H,19,21)/t16-,17+/m1/s1
InChIKeyIHJSMBVHRIEICJ-SJORKVTESA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 80711787
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiophene-3-carboxamide
CID 97065228
2,3-difluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 62660008
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 65311609
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 111829594
2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 106509864
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-2-carboxamide
CID 62339488
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)-5-methyl-1,2-oxazole-4-carboxamide
CID 61367776
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 103816808
2-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methylbenzamide
CID 103862955
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-nitrobenzamide
CID 110906535

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide (CID 103816856) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1C.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide?
The InChIKey is IHJSMBVHRIEICJ-SJORKVTESA-N. The full InChI is InChI=1S/C18H19NO2/c1-11-6-5-9-14(12(11)2)18(21)19-17-15-8-4-3-7-13(15)10-16(17)20/h3-9,16-17,20H,10H2,1-2H3,(H,19,21)/t16-,17+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide is sourced from PubChem (CID 103816856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).