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

C19H16F3NO3 — CID 66805403

IUPACmethyl (3R)-3-[[2-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C19H16F3NO3/c1-26-18(25)12-7-6-11-8-9-16(14(11)10-12)23-17(24)13-4-2-3-5-15(13)19(20,21)22/h2-7,10,16H,8-9H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyGOVQSUYTYVAWMC-MRXNPFEDSA-N
MW363.34 g/mol
LogP3.91
Rot. Bonds3

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

methyl (3R)-3-[[2-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 66805403) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is methyl (3R)-3-[[2-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[[2-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID66805403
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Namemethyl (3R)-3-[[2-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C19H16F3NO3/c1-26-18(25)12-7-6-11-8-9-16(14(11)10-12)23-17(24)13-4-2-3-5-15(13)19(20,21)22/h2-7,10,16H,8-9H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyGOVQSUYTYVAWMC-MRXNPFEDSA-N
XLogP3.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.91
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-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-3-[[2-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 66805403) is methyl (3R)-3-[[2-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-[[2-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-[[2-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1C(F)(F)F)CC2.
What is the InChIKey of methyl (3R)-3-[[2-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is GOVQSUYTYVAWMC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16F3NO3/c1-26-18(25)12-7-6-11-8-9-16(14(11)10-12)23-17(24)13-4-2-3-5-15(13)19(20,21)22/h2-7,10,16H,8-9H2,1H3,(H,23,24)/t16-/m1/s1.
What are the key properties of methyl (3R)-3-[[2-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-3-[[2-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 363.34 g/mol, XLogP of 3.91, 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-(trifluoromethyl)benzoyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 66805403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).