ethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate

C19H18FNO2 — CID 134951215

IUPACethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate
SMILESCCOC(=O)C1=C(N)c2cc(F)ccc2C1(C)c1ccccc1
InChIInChI=1S/C19H18FNO2/c1-3-23-18(22)16-17(21)14-11-13(20)9-10-15(14)19(16,2)12-7-5-4-6-8-12/h4-11H,3,21H2,1-2H3
InChIKeyDBUFSNAQYCFBSO-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.38
Rot. Bonds3

About ethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate

ethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate (PubChem CID 134951215) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is ethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate
PubChem CID134951215
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Nameethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate
SMILESCCOC(=O)C1=C(N)c2cc(F)ccc2C1(C)c1ccccc1
InChIInChI=1S/C19H18FNO2/c1-3-23-18(22)16-17(21)14-11-13(20)9-10-15(14)19(16,2)12-7-5-4-6-8-12/h4-11H,3,21H2,1-2H3
InChIKeyDBUFSNAQYCFBSO-UHFFFAOYSA-N
XLogP3.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate (CID 134951215) is ethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate is CCOC(=O)C1=C(N)c2cc(F)ccc2C1(C)c1ccccc1.
What is the InChIKey of ethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate?
The InChIKey is DBUFSNAQYCFBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c1-3-23-18(22)16-17(21)14-11-13(20)9-10-15(14)19(16,2)12-7-5-4-6-8-12/h4-11H,3,21H2,1-2H3.
What are the key properties of ethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate?
ethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate has a molecular weight of 311.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-fluoro-1-methyl-1-phenylindene-2-carboxylate is sourced from PubChem (CID 134951215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).