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

C18H16FNO3 — CID 59505388

IUPACmethyl (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1F)CC2
InChIInChI=1S/C18H16FNO3/c1-23-18(22)12-7-6-11-8-9-16(14(11)10-12)20-17(21)13-4-2-3-5-15(13)19/h2-7,10,16H,8-9H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyXSLHILKQVXFLBQ-MRXNPFEDSA-N
MW313.33 g/mol
LogP3.03
Rot. Bonds3

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

methyl (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 59505388) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is methyl (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID59505388
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Namemethyl (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1F)CC2
InChIInChI=1S/C18H16FNO3/c1-23-18(22)12-7-6-11-8-9-16(14(11)10-12)20-17(21)13-4-2-3-5-15(13)19/h2-7,10,16H,8-9H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyXSLHILKQVXFLBQ-MRXNPFEDSA-N
XLogP3.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate (CID 59505388) is methyl (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1F)CC2.
What is the InChIKey of methyl (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is XSLHILKQVXFLBQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-23-18(22)12-7-6-11-8-9-16(14(11)10-12)20-17(21)13-4-2-3-5-15(13)19/h2-7,10,16H,8-9H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of methyl (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-3-[(2-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 313.33 g/mol, XLogP of 3.03, 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-fluorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 59505388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).