ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate

C16H15F2NO2 — CID 43322204

IUPACethyl 2-[(2,6-difluorophenyl)methylamino]benzoate
SMILESCCOC(=O)c1ccccc1NCc1c(F)cccc1F
InChIInChI=1S/C16H15F2NO2/c1-2-21-16(20)11-6-3-4-9-15(11)19-10-12-13(17)7-5-8-14(12)18/h3-9,19H,2,10H2,1H3
InChIKeyIPDMNEUKPSKLJI-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.75
Rot. Bonds5

About ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate

ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate (PubChem CID 43322204) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2,6-difluorophenyl)methylamino]benzoate
PubChem CID43322204
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Nameethyl 2-[(2,6-difluorophenyl)methylamino]benzoate
SMILESCCOC(=O)c1ccccc1NCc1c(F)cccc1F
InChIInChI=1S/C16H15F2NO2/c1-2-21-16(20)11-6-3-4-9-15(11)19-10-12-13(17)7-5-8-14(12)18/h3-9,19H,2,10H2,1H3
InChIKeyIPDMNEUKPSKLJI-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[(2,5-difluorophenyl)methylamino]benzoate
CID 43312815
ethyl 2-[(2-methylphenyl)methylamino]benzoate
CID 43217386
ethyl 2,3-difluorobenzoate
CID 2761174
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
ethyl 2-(propylamino)benzoate
CID 15662762
ethyl 2-[(1-ethylpyrrol-3-yl)methylamino]benzoate
CID 66397344
ethyl 2-(1H-pyrrol-3-ylmethylamino)benzoate
CID 66410244
ethyl 3-[(2,6-difluorophenyl)methylamino]benzoate
CID 43321965
ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108982356
ethyl 2-[[1-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108983850
ethyl 3-(benzylamino)-2-methylbenzoate
CID 5127212
ethyl 2-[(2-hydroxy-5-methylphenyl)methylamino]benzoate
CID 63326977

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate?
The IUPAC name of ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate (CID 43322204) is ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate.
What is the SMILES notation for ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate?
The canonical SMILES for ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate is CCOC(=O)c1ccccc1NCc1c(F)cccc1F.
What is the InChIKey of ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate?
The InChIKey is IPDMNEUKPSKLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-2-21-16(20)11-6-3-4-9-15(11)19-10-12-13(17)7-5-8-14(12)18/h3-9,19H,2,10H2,1H3.
What are the key properties of ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate?
ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate has a molecular weight of 291.30 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate is sourced from PubChem (CID 43322204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).