2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid

C19H19NO3 — CID 135336630

IUPAC2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid
SMILESO=C(O)CC1(C(=O)NCc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C19H19NO3/c21-17(22)12-19(10-15-8-4-5-9-16(15)11-19)18(23)20-13-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,23)(H,21,22)
InChIKeyIGSVPXLWRONORH-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.56
Rot. Bonds5

About 2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid

2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid (PubChem CID 135336630) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid
PubChem CID135336630
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid
SMILESO=C(O)CC1(C(=O)NCc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C19H19NO3/c21-17(22)12-19(10-15-8-4-5-9-16(15)11-19)18(23)20-13-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,23)(H,21,22)
InChIKeyIGSVPXLWRONORH-UHFFFAOYSA-N
XLogP2.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid?
The IUPAC name of 2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid (CID 135336630) is 2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid.
What is the SMILES notation for 2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid?
The canonical SMILES for 2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid is O=C(O)CC1(C(=O)NCc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of 2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid?
The InChIKey is IGSVPXLWRONORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-17(22)12-19(10-15-8-4-5-9-16(15)11-19)18(23)20-13-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,23)(H,21,22).
What are the key properties of 2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid?
2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid has a molecular weight of 309.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid is sourced from PubChem (CID 135336630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).