ethyl 2-[(2,5-difluorophenyl)methylamino]benzoate

C16H15F2NO2 — CID 43312815

IUPACethyl 2-[(2,5-difluorophenyl)methylamino]benzoate
SMILESCCOC(=O)c1ccccc1NCc1cc(F)ccc1F
InChIInChI=1S/C16H15F2NO2/c1-2-21-16(20)13-5-3-4-6-15(13)19-10-11-9-12(17)7-8-14(11)18/h3-9,19H,2,10H2,1H3
InChIKeyDDQYGJZECCPRRJ-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.75
Rot. Bonds5

About ethyl 2-[(2,5-difluorophenyl)methylamino]benzoate

ethyl 2-[(2,5-difluorophenyl)methylamino]benzoate (PubChem CID 43312815) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is ethyl 2-[(2,5-difluorophenyl)methylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2,5-difluorophenyl)methylamino]benzoate
PubChem CID43312815
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Nameethyl 2-[(2,5-difluorophenyl)methylamino]benzoate
SMILESCCOC(=O)c1ccccc1NCc1cc(F)ccc1F
InChIInChI=1S/C16H15F2NO2/c1-2-21-16(20)13-5-3-4-6-15(13)19-10-11-9-12(17)7-8-14(11)18/h3-9,19H,2,10H2,1H3
InChIKeyDDQYGJZECCPRRJ-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

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Related Compounds

ethyl 2-[(2-methylphenyl)methylamino]benzoate
CID 43217386
ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate
CID 43322204
methyl 2-amino-3-[(2,5-difluorophenyl)methylamino]benzoate
CID 115546176
methyl 2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841534
ethyl 2-[(2-hydroxy-5-methylphenyl)methylamino]benzoate
CID 63326977
ethyl 2-[(2-hydroxy-3-methoxyphenyl)methylamino]benzoate
CID 51047332
methyl 2-[(2-bromo-5-fluorophenyl)methylamino]benzoate
CID 71747092
ethyl 2-[(2,5-dimethylthiophen-3-yl)methylamino]benzoate
CID 63423353
methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate
CID 71747269
ethyl 2-(propylamino)benzoate
CID 15662762
ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109189577
3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906159

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-difluorophenyl)methylamino]benzoate?
The IUPAC name of ethyl 2-[(2,5-difluorophenyl)methylamino]benzoate (CID 43312815) is ethyl 2-[(2,5-difluorophenyl)methylamino]benzoate.
What is the SMILES notation for ethyl 2-[(2,5-difluorophenyl)methylamino]benzoate?
The canonical SMILES for ethyl 2-[(2,5-difluorophenyl)methylamino]benzoate is CCOC(=O)c1ccccc1NCc1cc(F)ccc1F.
What is the InChIKey of ethyl 2-[(2,5-difluorophenyl)methylamino]benzoate?
The InChIKey is DDQYGJZECCPRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-2-21-16(20)13-5-3-4-6-15(13)19-10-11-9-12(17)7-8-14(11)18/h3-9,19H,2,10H2,1H3.
What are the key properties of ethyl 2-[(2,5-difluorophenyl)methylamino]benzoate?
ethyl 2-[(2,5-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-[(2,5-difluorophenyl)methylamino]benzoate is sourced from PubChem (CID 43312815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).