3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide

C25H25NO — CID 58276456

IUPAC3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide
SMILESCc1cc(C(N)=O)cc(-c2ccc(CCC3Cc4ccccc4C3)cc2)c1
InChIInChI=1S/C25H25NO/c1-17-12-23(16-24(13-17)25(26)27)20-10-8-18(9-11-20)6-7-19-14-21-4-2-3-5-22(21)15-19/h2-5,8-13,16,19H,6-7,14-15H2,1H3,(H2,26,27)
InChIKeyIBDHTDDQYRJJMQ-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.11
Rot. Bonds5

About 3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide

3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide (PubChem CID 58276456) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide
PubChem CID58276456
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide
SMILESCc1cc(C(N)=O)cc(-c2ccc(CCC3Cc4ccccc4C3)cc2)c1
InChIInChI=1S/C25H25NO/c1-17-12-23(16-24(13-17)25(26)27)20-10-8-18(9-11-20)6-7-19-14-21-4-2-3-5-22(21)15-19/h2-5,8-13,16,19H,6-7,14-15H2,1H3,(H2,26,27)
InChIKeyIBDHTDDQYRJJMQ-UHFFFAOYSA-N
XLogP5.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide?
The IUPAC name of 3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide (CID 58276456) is 3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide.
What is the SMILES notation for 3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide?
The canonical SMILES for 3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide is Cc1cc(C(N)=O)cc(-c2ccc(CCC3Cc4ccccc4C3)cc2)c1.
What is the InChIKey of 3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide?
The InChIKey is IBDHTDDQYRJJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-17-12-23(16-24(13-17)25(26)27)20-10-8-18(9-11-20)6-7-19-14-21-4-2-3-5-22(21)15-19/h2-5,8-13,16,19H,6-7,14-15H2,1H3,(H2,26,27).
What are the key properties of 3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide?
3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide has a molecular weight of 355.48 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]-5-methylbenzamide is sourced from PubChem (CID 58276456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).