ethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate

C19H20ClNO2 — CID 163504818

IUPACethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate
SMILESCCOC(=O)C1CCc2cc(NCc3cccc(Cl)c3)ccc21
InChIInChI=1S/C19H20ClNO2/c1-2-23-19(22)18-8-6-14-11-16(7-9-17(14)18)21-12-13-4-3-5-15(20)10-13/h3-5,7,9-11,18,21H,2,6,8,12H2,1H3
InChIKeyCXSBDFTZONQGIW-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.55
Rot. Bonds5

About ethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate

ethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 163504818) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is ethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID163504818
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Nameethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate
SMILESCCOC(=O)C1CCc2cc(NCc3cccc(Cl)c3)ccc21
InChIInChI=1S/C19H20ClNO2/c1-2-23-19(22)18-8-6-14-11-16(7-9-17(14)18)21-12-13-4-3-5-15(20)10-13/h3-5,7,9-11,18,21H,2,6,8,12H2,1H3
InChIKeyCXSBDFTZONQGIW-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of ethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate (CID 163504818) is ethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for ethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for ethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate is CCOC(=O)C1CCc2cc(NCc3cccc(Cl)c3)ccc21.
What is the InChIKey of ethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is CXSBDFTZONQGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-2-23-19(22)18-8-6-14-11-16(7-9-17(14)18)21-12-13-4-3-5-15(20)10-13/h3-5,7,9-11,18,21H,2,6,8,12H2,1H3.
What are the key properties of ethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate?
ethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 329.83 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-chlorophenyl)methylamino]-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 163504818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).