methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate

C15H13F2NO2 — CID 43735453

IUPACmethyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate
SMILESCOC(=O)c1cc(F)ccc1NCc1ccc(F)cc1
InChIInChI=1S/C15H13F2NO2/c1-20-15(19)13-8-12(17)6-7-14(13)18-9-10-2-4-11(16)5-3-10/h2-8,18H,9H2,1H3
InChIKeyMKFRNGGXLZVFCS-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.36
Rot. Bonds4

About methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate

methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate (PubChem CID 43735453) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate
PubChem CID43735453
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Namemethyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate
SMILESCOC(=O)c1cc(F)ccc1NCc1ccc(F)cc1
InChIInChI=1S/C15H13F2NO2/c1-20-15(19)13-8-12(17)6-7-14(13)18-9-10-2-4-11(16)5-3-10/h2-8,18H,9H2,1H3
InChIKeyMKFRNGGXLZVFCS-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-fluoro-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]benzoate
CID 64580738
5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 63673662
methyl 3-[(4-fluorophenyl)methylamino]pyridine-4-carboxylate
CID 83322074
methyl 2-[(3,4-difluorophenyl)methylamino]-4-fluorobenzoate
CID 43735155
methyl 3-amino-4-[(4-fluorophenyl)methylamino]benzoate
CID 46344411
methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate
CID 60780928
methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate
CID 43735444
methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81312860
methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate
CID 43735543
methyl 2-acetamido-5-fluorobenzoate
CID 60786102
methyl 5-fluoro-2-(octylamino)benzoate
CID 43735445
methyl 5-fluoro-2-[(3-methoxy-3-methylbutyl)amino]benzoate
CID 106675284

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate?
The IUPAC name of methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate (CID 43735453) is methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate.
What is the SMILES notation for methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate?
The canonical SMILES for methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate is COC(=O)c1cc(F)ccc1NCc1ccc(F)cc1.
What is the InChIKey of methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate?
The InChIKey is MKFRNGGXLZVFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-20-15(19)13-8-12(17)6-7-14(13)18-9-10-2-4-11(16)5-3-10/h2-8,18H,9H2,1H3.
What are the key properties of methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate?
methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate has a molecular weight of 277.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate is sourced from PubChem (CID 43735453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).