methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate

C15H14FNO3 — CID 43715405

IUPACmethyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate
SMILESCOC(=O)c1cc(NCc2ccccc2O)ccc1F
InChIInChI=1S/C15H14FNO3/c1-20-15(19)12-8-11(6-7-13(12)16)17-9-10-4-2-3-5-14(10)18/h2-8,17-18H,9H2,1H3
InChIKeySTNHLQMZWMMJFD-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.93
Rot. Bonds4

About methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate

methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate (PubChem CID 43715405) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate
PubChem CID43715405
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Namemethyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate
SMILESCOC(=O)c1cc(NCc2ccccc2O)ccc1F
InChIInChI=1S/C15H14FNO3/c1-20-15(19)12-8-11(6-7-13(12)16)17-9-10-4-2-3-5-14(10)18/h2-8,17-18H,9H2,1H3
InChIKeySTNHLQMZWMMJFD-UHFFFAOYSA-N
XLogP2.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[(2,3-difluorophenyl)methylamino]-2-fluorobenzoate
CID 63667213
methyl 5-[(5-bromo-2-hydroxyphenyl)methylamino]-2-fluorobenzoate
CID 107737733
methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43672704
methyl 5-[(2,4-dichlorophenyl)methylamino]-2-fluorobenzoate
CID 43715392
methyl 2-[(4-fluoro-3-methylanilino)methyl]benzoate
CID 62810538
methyl 5-[(2,5-dimethylphenyl)methylamino]-2-fluorobenzoate
CID 60732379
methyl 2-fluoro-5-(furan-2-ylmethylamino)benzoate
CID 43715391
methyl 5-[(4-bromo-3-fluorophenyl)methylamino]-2-fluorobenzoate
CID 79671769
methyl 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzoate
CID 115937972
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
methyl 2-fluoro-5-(pentylamino)benzoate
CID 43715336
methyl 2-fluoro-5-(1,3-thiazol-2-ylmethylamino)benzoate
CID 63655799

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate?
The IUPAC name of methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate (CID 43715405) is methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate.
What is the SMILES notation for methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate?
The canonical SMILES for methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate is COC(=O)c1cc(NCc2ccccc2O)ccc1F.
What is the InChIKey of methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate?
The InChIKey is STNHLQMZWMMJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-20-15(19)12-8-11(6-7-13(12)16)17-9-10-4-2-3-5-14(10)18/h2-8,17-18H,9H2,1H3.
What are the key properties of methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate?
methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate has a molecular weight of 275.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-[(2-hydroxyphenyl)methylamino]benzoate is sourced from PubChem (CID 43715405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).