2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

C23H16Cl3NO3 — CID 68554442

IUPAC2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C23H16Cl3NO3/c24-18-7-6-14(9-17(18)13-5-8-19(25)20(26)10-13)21(28)27-23(22(29)30)11-15-3-1-2-4-16(15)12-23/h1-10H,11-12H2,(H,27,28)(H,29,30)
InChIKeyLVKIBRWALPAEQM-UHFFFAOYSA-N
MW460.74 g/mol
LogP5.67
Rot. Bonds4

About 2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 68554442) has the molecular formula C23H16Cl3NO3 and a molecular weight of 460.74 g/mol. Its IUPAC name is 2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID68554442
Molecular FormulaC23H16Cl3NO3
Molecular Weight460.74 g/mol
Exact Mass459.02
IUPAC Name2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C23H16Cl3NO3/c24-18-7-6-14(9-17(18)13-5-8-19(25)20(26)10-13)21(28)27-23(22(29)30)11-15-3-1-2-4-16(15)12-23/h1-10H,11-12H2,(H,27,28)(H,29,30)
InChIKeyLVKIBRWALPAEQM-UHFFFAOYSA-N
XLogP5.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.74
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-chloro-3-[3-(trifluoromethyl)phenyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 68553692
2-[[4-chloro-3-(2,3,5-trichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 68552345
2-[(3,5-diphenylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 68553742
1-[[3-chloro-4-(2-chlorophenyl)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 70661891
4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 58791112
3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
CID 110444165
4-chloro-3-(4-phenylphenyl)-N-pyrazin-2-ylbenzamide
CID 11523880
5-(4-chlorophenyl)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 59335739
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylphenyl)benzamide
CID 91399310
2-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 25159359
2-[[4-chloro-3-(4-phenylphenyl)benzoyl]amino]ethyl-trimethylazanium
CID 68551333
4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 58791127

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 68554442) is 2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is O=C(NC1(C(=O)O)Cc2ccccc2C1)c1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is LVKIBRWALPAEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3NO3/c24-18-7-6-14(9-17(18)13-5-8-19(25)20(26)10-13)21(28)27-23(22(29)30)11-15-3-1-2-4-16(15)12-23/h1-10H,11-12H2,(H,27,28)(H,29,30).
What are the key properties of 2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 460.74 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(3,4-dichlorophenyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 68554442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).