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

C19H18FNO3 — CID 59505589

IUPACmethyl (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1F)CC2
InChIInChI=1S/C19H18FNO3/c1-24-19(23)14-7-6-12-8-9-17(15(12)10-14)21-18(22)11-13-4-2-3-5-16(13)20/h2-7,10,17H,8-9,11H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyGPEBSOJKVMRHDX-QGZVFWFLSA-N
MW327.36 g/mol
LogP2.96
Rot. Bonds4

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

methyl (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 59505589) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is methyl (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID59505589
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Namemethyl (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1F)CC2
InChIInChI=1S/C19H18FNO3/c1-24-19(23)14-7-6-12-8-9-17(15(12)10-14)21-18(22)11-13-4-2-3-5-16(13)20/h2-7,10,17H,8-9,11H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyGPEBSOJKVMRHDX-QGZVFWFLSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.96
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-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 59505589) is methyl (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](NC(=O)Cc1ccccc1F)CC2.
What is the InChIKey of methyl (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is GPEBSOJKVMRHDX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-24-19(23)14-7-6-12-8-9-17(15(12)10-14)21-18(22)11-13-4-2-3-5-16(13)20/h2-7,10,17H,8-9,11H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of methyl (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 327.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[2-(2-fluorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 59505589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).