2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid

C23H19NO3 — CID 1431339

IUPAC2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C23H19NO3/c25-22(24-17-13-12-15-6-5-7-16(15)14-17)20-10-3-1-8-18(20)19-9-2-4-11-21(19)23(26)27/h1-4,8-14H,5-7H2,(H,24,25)(H,26,27)
InChIKeyWRBZHVVRPXPVGW-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.79
Rot. Bonds4

About 2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid

2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid (PubChem CID 1431339) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid
PubChem CID1431339
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C23H19NO3/c25-22(24-17-13-12-15-6-5-7-16(15)14-17)20-10-3-1-8-18(20)19-9-2-4-11-21(19)23(26)27/h1-4,8-14H,5-7H2,(H,24,25)(H,26,27)
InChIKeyWRBZHVVRPXPVGW-UHFFFAOYSA-N
XLogP4.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid?
The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid (CID 1431339) is 2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid?
The InChIKey is WRBZHVVRPXPVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c25-22(24-17-13-12-15-6-5-7-16(15)14-17)20-10-3-1-8-18(20)19-9-2-4-11-21(19)23(26)27/h1-4,8-14H,5-7H2,(H,24,25)(H,26,27).
What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid?
2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid has a molecular weight of 357.41 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-inden-5-ylcarbamoyl)phenyl]benzoic acid is sourced from PubChem (CID 1431339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).