N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide

C17H16ClNO2 — CID 155283136

IUPACN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCc3cc(Cl)ccc32)c1O
InChIInChI=1S/C17H16ClNO2/c1-10-3-2-4-14(16(10)20)17(21)19-15-8-5-11-9-12(18)6-7-13(11)15/h2-4,6-7,9,15,20H,5,8H2,1H3,(H,19,21)
InChIKeyZAJZHFFJTZJTMC-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.77
Rot. Bonds2

About N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide (PubChem CID 155283136) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
PubChem CID155283136
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCc3cc(Cl)ccc32)c1O
InChIInChI=1S/C17H16ClNO2/c1-10-3-2-4-14(16(10)20)17(21)19-15-8-5-11-9-12(18)6-7-13(11)15/h2-4,6-7,9,15,20H,5,8H2,1H3,(H,19,21)
InChIKeyZAJZHFFJTZJTMC-UHFFFAOYSA-N
XLogP3.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-methyl-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167581886
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212
5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975
3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167578761
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide
CID 171794448
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate
CID 155718328
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
CID 82870824
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-[2-(dimethylamino)ethoxy]benzamide
CID 51125193
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-methyl-3-nitrobenzamide
CID 52740733
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(methylsulfonylmethyl)benzamide
CID 155283312
1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide
CID 91645508

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide (CID 155283136) is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NC2CCc3cc(Cl)ccc32)c1O.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide?
The InChIKey is ZAJZHFFJTZJTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-10-3-2-4-14(16(10)20)17(21)19-15-8-5-11-9-12(18)6-7-13(11)15/h2-4,6-7,9,15,20H,5,8H2,1H3,(H,19,21).
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide?
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide has a molecular weight of 301.77 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 155283136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).