3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid

C18H13ClF3NO3 — CID 59505635

IUPAC3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(NC(=O)c1cc(C(F)(F)F)ccc1Cl)CC2
InChIInChI=1S/C18H13ClF3NO3/c19-14-5-4-11(18(20,21)22)8-13(14)16(24)23-15-6-3-9-1-2-10(17(25)26)7-12(9)15/h1-2,4-5,7-8,15H,3,6H2,(H,23,24)(H,25,26)
InChIKeyLXTUVJHMZWIWFK-UHFFFAOYSA-N
MW383.75 g/mol
LogP4.47
Rot. Bonds3

About 3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid

3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 59505635) has the molecular formula C18H13ClF3NO3 and a molecular weight of 383.75 g/mol. Its IUPAC name is 3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID59505635
Molecular FormulaC18H13ClF3NO3
Molecular Weight383.75 g/mol
Exact Mass383.05
IUPAC Name3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(NC(=O)c1cc(C(F)(F)F)ccc1Cl)CC2
InChIInChI=1S/C18H13ClF3NO3/c19-14-5-4-11(18(20,21)22)8-13(14)16(24)23-15-6-3-9-1-2-10(17(25)26)7-12(9)15/h1-2,4-5,7-8,15H,3,6H2,(H,23,24)(H,25,26)
InChIKeyLXTUVJHMZWIWFK-UHFFFAOYSA-N
XLogP4.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.75
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 59505635) is 3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(NC(=O)c1cc(C(F)(F)F)ccc1Cl)CC2.
What is the InChIKey of 3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is LXTUVJHMZWIWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3NO3/c19-14-5-4-11(18(20,21)22)8-13(14)16(24)23-15-6-3-9-1-2-10(17(25)26)7-12(9)15/h1-2,4-5,7-8,15H,3,6H2,(H,23,24)(H,25,26).
What are the key properties of 3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 383.75 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 59505635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).