methyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate

C18H17NO3 — CID 66805395

IUPACmethyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1)CC2
InChIInChI=1S/C18H17NO3/c1-22-18(21)14-8-7-12-9-10-16(15(12)11-14)19-17(20)13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeySJTBWPLVTRRVFO-MRXNPFEDSA-N
MW295.34 g/mol
LogP2.89
Rot. Bonds3

About methyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate

methyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 66805395) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID66805395
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1)CC2
InChIInChI=1S/C18H17NO3/c1-22-18(21)14-8-7-12-9-10-16(15(12)11-14)19-17(20)13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeySJTBWPLVTRRVFO-MRXNPFEDSA-N
XLogP2.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate (CID 66805395) is methyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1)CC2.
What is the InChIKey of methyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is SJTBWPLVTRRVFO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17NO3/c1-22-18(21)14-8-7-12-9-10-16(15(12)11-14)19-17(20)13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3,(H,19,20)/t16-/m1/s1.
What are the key properties of methyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-benzamido-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 66805395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).