ethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate

C18H17ClFNO2 — CID 59335695

IUPACethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(N)Cc2ccc(-c3ccc(F)c(Cl)c3)cc2C1
InChIInChI=1S/C18H17ClFNO2/c1-2-23-17(22)18(21)9-13-4-3-11(7-14(13)10-18)12-5-6-16(20)15(19)8-12/h3-8H,2,9-10,21H2,1H3
InChIKeyDXIUJJUBHNNNDN-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.51
Rot. Bonds3

About ethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate

ethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate (PubChem CID 59335695) has the molecular formula C18H17ClFNO2 and a molecular weight of 333.79 g/mol. Its IUPAC name is ethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate
PubChem CID59335695
Molecular FormulaC18H17ClFNO2
Molecular Weight333.79 g/mol
Exact Mass333.09
IUPAC Nameethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(N)Cc2ccc(-c3ccc(F)c(Cl)c3)cc2C1
InChIInChI=1S/C18H17ClFNO2/c1-2-23-17(22)18(21)9-13-4-3-11(7-14(13)10-18)12-5-6-16(20)15(19)8-12/h3-8H,2,9-10,21H2,1H3
InChIKeyDXIUJJUBHNNNDN-UHFFFAOYSA-N
XLogP3.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate (CID 59335695) is ethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(N)Cc2ccc(-c3ccc(F)c(Cl)c3)cc2C1.
What is the InChIKey of ethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate?
The InChIKey is DXIUJJUBHNNNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO2/c1-2-23-17(22)18(21)9-13-4-3-11(7-14(13)10-18)12-5-6-16(20)15(19)8-12/h3-8H,2,9-10,21H2,1H3.
What are the key properties of ethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate?
ethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate has a molecular weight of 333.79 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(3-chloro-4-fluorophenyl)-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 59335695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).