3-[4-[2-(2-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide

C25H25NO — CID 58276404

IUPAC3-[4-[2-(2-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide
SMILESCC1(CCc2ccc(-c3cccc(C(N)=O)c3)cc2)Cc2ccccc2C1
InChIInChI=1S/C25H25NO/c1-25(16-22-5-2-3-6-23(22)17-25)14-13-18-9-11-19(12-10-18)20-7-4-8-21(15-20)24(26)27/h2-12,15H,13-14,16-17H2,1H3,(H2,26,27)
InChIKeyHEWRLHGFHISROX-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.19
Rot. Bonds5

About 3-[4-[2-(2-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide

3-[4-[2-(2-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide (PubChem CID 58276404) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-[4-[2-(2-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[4-[2-(2-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide
PubChem CID58276404
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name3-[4-[2-(2-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide
SMILESCC1(CCc2ccc(-c3cccc(C(N)=O)c3)cc2)Cc2ccccc2C1
InChIInChI=1S/C25H25NO/c1-25(16-22-5-2-3-6-23(22)17-25)14-13-18-9-11-19(12-10-18)20-7-4-8-21(15-20)24(26)27/h2-12,15H,13-14,16-17H2,1H3,(H2,26,27)
InChIKeyHEWRLHGFHISROX-UHFFFAOYSA-N
XLogP5.19
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 ≤ 55.19
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-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide?
The IUPAC name of 3-[4-[2-(2-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide (CID 58276404) is 3-[4-[2-(2-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide.
What is the SMILES notation for 3-[4-[2-(2-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide?
The canonical SMILES for 3-[4-[2-(2-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide is CC1(CCc2ccc(-c3cccc(C(N)=O)c3)cc2)Cc2ccccc2C1.
What is the InChIKey of 3-[4-[2-(2-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide?
The InChIKey is HEWRLHGFHISROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO/c1-25(16-22-5-2-3-6-23(22)17-25)14-13-18-9-11-19(12-10-18)20-7-4-8-21(15-20)24(26)27/h2-12,15H,13-14,16-17H2,1H3,(H2,26,27).
What are the key properties of 3-[4-[2-(2-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide?
3-[4-[2-(2-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide has a molecular weight of 355.48 g/mol, XLogP of 5.19, 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-methyl-1,3-dihydroinden-2-yl)ethyl]phenyl]benzamide is sourced from PubChem (CID 58276404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).