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

C19H15F4NO3 — CID 59505577

IUPACmethyl (3R)-3-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1c(F)cccc1C(F)(F)F)CC2
InChIInChI=1S/C19H15F4NO3/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
InChIKeyRECDOMNJVABAIC-OAHLLOKOSA-N
MW381.33 g/mol
LogP4.05
Rot. Bonds3

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

methyl (3R)-3-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 59505577) has the molecular formula C19H15F4NO3 and a molecular weight of 381.33 g/mol. Its IUPAC name is methyl (3R)-3-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID59505577
Molecular FormulaC19H15F4NO3
Molecular Weight381.33 g/mol
Exact Mass381.10
IUPAC Namemethyl (3R)-3-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1c(F)cccc1C(F)(F)F)CC2
InChIInChI=1S/C19H15F4NO3/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
InChIKeyRECDOMNJVABAIC-OAHLLOKOSA-N
XLogP4.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(rac)-2-(1-{[1-(2,2,2-Trifluoro-acetylamino)-cyclopropanecarbonyl]-amino}-indan-5-yl)-benzoic acid methyl ester
CID 60142024
(R)-methyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate hydrochloride
CID 66700566
Methyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate hydrochloride
CID 76853948
Methyl 4''-(acetamidomethyl)-3,3''-difluorobiphenyl-2-carboxylate
CID 46230259
9-acetamido-9H-fluorene-2-carboxylic acid
CID 458554
(S)-Methyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate hydrochloride
CID 131632339
Methyl 4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoate
CID 4813400
Methyl 2-(4-tert-butylphenyl)-2-[4-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]acetate
CID 46102395
Methyl 2-[4-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-phenylacetate
CID 46102398
Methyl 2-[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]-2-phenylacetate
CID 46102399
Ethyl 2-(3,5-dimethylphenyl)-2-[4-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]acetate
CID 46102411
Methyl 2-(2-fluorophenyl)-2-[4-[[3-fluoro-4-(trifluoromethyl)benzoyl]amino]cyclopent-2-en-1-yl]acetate
CID 46102440

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-3-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 59505577) is methyl (3R)-3-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1c(F)cccc1C(F)(F)F)CC2.
What is the InChIKey of methyl (3R)-3-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is RECDOMNJVABAIC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H15F4NO3/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-fluoro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-3-[[2-fluoro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 381.33 g/mol, XLogP of 4.05, 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-fluoro-6-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 59505577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).