methyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate

C19H15ClF3NO3 — CID 59505321

IUPACmethyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1c(Cl)cccc1C(F)(F)F)CC2
InChIInChI=1S/C19H15ClF3NO3/c1-27-18(26)11-6-5-10-7-8-15(12(10)9-11)24-17(25)16-13(19(21,22)23)3-2-4-14(16)20/h2-6,9,15H,7-8H2,1H3,(H,24,25)/t15-/m1/s1
InChIKeyFGBFLPBJCHPKQT-OAHLLOKOSA-N
MW397.78 g/mol
LogP4.56
Rot. Bonds3

About methyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate

methyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 59505321) has the molecular formula C19H15ClF3NO3 and a molecular weight of 397.78 g/mol. Its IUPAC name is methyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID59505321
Molecular FormulaC19H15ClF3NO3
Molecular Weight397.78 g/mol
Exact Mass397.07
IUPAC Namemethyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1c(Cl)cccc1C(F)(F)F)CC2
InChIInChI=1S/C19H15ClF3NO3/c1-27-18(26)11-6-5-10-7-8-15(12(10)9-11)24-17(25)16-13(19(21,22)23)3-2-4-14(16)20/h2-6,9,15H,7-8H2,1H3,(H,24,25)/t15-/m1/s1
InChIKeyFGBFLPBJCHPKQT-OAHLLOKOSA-N
XLogP4.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.78
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 59505321) is methyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1c(Cl)cccc1C(F)(F)F)CC2.
What is the InChIKey of methyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is FGBFLPBJCHPKQT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H15ClF3NO3/c1-27-18(26)11-6-5-10-7-8-15(12(10)9-11)24-17(25)16-13(19(21,22)23)3-2-4-14(16)20/h2-6,9,15H,7-8H2,1H3,(H,24,25)/t15-/m1/s1.
What are the key properties of methyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 397.78 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 59505321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).