N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide

C17H17NO — CID 2673435

IUPACN-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H17NO/c1-12-5-7-14(8-6-12)17(19)18-16-10-9-13-3-2-4-15(13)11-16/h5-11H,2-4H2,1H3,(H,18,19)
InChIKeyIDBXZOQWCPFYCP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.74
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide

N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide (PubChem CID 2673435) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide
PubChem CID2673435
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C17H17NO/c1-12-5-7-14(8-6-12)17(19)18-16-10-9-13-3-2-4-15(13)11-16/h5-11H,2-4H2,1H3,(H,18,19)
InChIKeyIDBXZOQWCPFYCP-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide (CID 2673435) is N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide?
The InChIKey is IDBXZOQWCPFYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12-5-7-14(8-6-12)17(19)18-16-10-9-13-3-2-4-15(13)11-16/h5-11H,2-4H2,1H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide?
N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzamide is sourced from PubChem (CID 2673435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).