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

C23H24FNO3 — CID 66805380

IUPACmethyl (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)C1(c3ccccc3F)CCCC1)CC2
InChIInChI=1S/C23H24FNO3/c1-28-21(26)16-9-8-15-10-11-20(17(15)14-16)25-22(27)23(12-4-5-13-23)18-6-2-3-7-19(18)24/h2-3,6-9,14,20H,4-5,10-13H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyKGEZOHHCYXZLTL-HXUWFJFHSA-N
MW381.45 g/mol
LogP4.23
Rot. Bonds4

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

methyl (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 66805380) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is methyl (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID66805380
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Namemethyl (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)C1(c3ccccc3F)CCCC1)CC2
InChIInChI=1S/C23H24FNO3/c1-28-21(26)16-9-8-15-10-11-20(17(15)14-16)25-22(27)23(12-4-5-13-23)18-6-2-3-7-19(18)24/h2-3,6-9,14,20H,4-5,10-13H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyKGEZOHHCYXZLTL-HXUWFJFHSA-N
XLogP4.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 66805380) is methyl (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](NC(=O)C1(c3ccccc3F)CCCC1)CC2.
What is the InChIKey of methyl (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is KGEZOHHCYXZLTL-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24FNO3/c1-28-21(26)16-9-8-15-10-11-20(17(15)14-16)25-22(27)23(12-4-5-13-23)18-6-2-3-7-19(18)24/h2-3,6-9,14,20H,4-5,10-13H2,1H3,(H,25,27)/t20-/m1/s1.
What are the key properties of methyl (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 381.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 66805380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).