ethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate

C19H19ClF3NO2 — CID 4036782

IUPACethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
SMILESCCOC(=O)CC(NCc1cccc(C(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C19H19ClF3NO2/c1-2-26-18(25)11-17(15-8-3-4-9-16(15)20)24-12-13-6-5-7-14(10-13)19(21,22)23/h3-10,17,24H,2,11-12H2,1H3
InChIKeyNMXAEDAGPOPPBN-UHFFFAOYSA-N
MW385.81 g/mol
LogP5.14
Rot. Bonds7

About ethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate

ethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate (PubChem CID 4036782) has the molecular formula C19H19ClF3NO2 and a molecular weight of 385.81 g/mol. Its IUPAC name is ethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
PubChem CID4036782
Molecular FormulaC19H19ClF3NO2
Molecular Weight385.81 g/mol
Exact Mass385.11
IUPAC Nameethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
SMILESCCOC(=O)CC(NCc1cccc(C(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C19H19ClF3NO2/c1-2-26-18(25)11-17(15-8-3-4-9-16(15)20)24-12-13-6-5-7-14(10-13)19(21,22)23/h3-10,17,24H,2,11-12H2,1H3
InChIKeyNMXAEDAGPOPPBN-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.81
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate?
The IUPAC name of ethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate (CID 4036782) is ethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate.
What is the SMILES notation for ethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate?
The canonical SMILES for ethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate is CCOC(=O)CC(NCc1cccc(C(F)(F)F)c1)c1ccccc1Cl.
What is the InChIKey of ethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate?
The InChIKey is NMXAEDAGPOPPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3NO2/c1-2-26-18(25)11-17(15-8-3-4-9-16(15)20)24-12-13-6-5-7-14(10-13)19(21,22)23/h3-10,17,24H,2,11-12H2,1H3.
What are the key properties of ethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate?
ethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate has a molecular weight of 385.81 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanoate is sourced from PubChem (CID 4036782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).