2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

C29H23NO3 — CID 68553742

IUPAC2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C29H23NO3/c31-27(30-29(28(32)33)18-22-13-7-8-14-23(22)19-29)26-16-24(20-9-3-1-4-10-20)15-25(17-26)21-11-5-2-6-12-21/h1-17H,18-19H2,(H,30,31)(H,32,33)
InChIKeyRNKAJPVVATYNNQ-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.37
Rot. Bonds5

About 2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 68553742) has the molecular formula C29H23NO3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID68553742
Molecular FormulaC29H23NO3
Molecular Weight433.51 g/mol
Exact Mass433.17
IUPAC Name2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C29H23NO3/c31-27(30-29(28(32)33)18-22-13-7-8-14-23(22)19-29)26-16-24(20-9-3-1-4-10-20)15-25(17-26)21-11-5-2-6-12-21/h1-17H,18-19H2,(H,30,31)(H,32,33)
InChIKeyRNKAJPVVATYNNQ-UHFFFAOYSA-N
XLogP5.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 68554442
2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 25159359
2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 75428971
2-[[3-(3-ethylsulfonylphenyl)-5-fluoro-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076693
2-[[4-chloro-3-[3-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 68553692
2-(1H-indole-4-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 59314163
2-[[4-chloro-3-(2,3,5-trichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 68552345
2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 143649354
2-[(6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 75469138
(2S)-2-benzamido-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 15200028
2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
CID 60992148
2-[[3-methyl-2-(2-methylpropanoyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 25160922

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid (CID 68553742) is 2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid is O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is RNKAJPVVATYNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO3/c31-27(30-29(28(32)33)18-22-13-7-8-14-23(22)19-29)26-16-24(20-9-3-1-4-10-20)15-25(17-26)21-11-5-2-6-12-21/h1-17H,18-19H2,(H,30,31)(H,32,33).
What are the key properties of 2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 433.51 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 68553742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).