methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate

C16H16FNO3 — CID 43735149

IUPACmethyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate
SMILESCOC(=O)c1ccc(F)cc1NCc1ccccc1OC
InChIInChI=1S/C16H16FNO3/c1-20-15-6-4-3-5-11(15)10-18-14-9-12(17)7-8-13(14)16(19)21-2/h3-9,18H,10H2,1-2H3
InChIKeyUCACRYIUJDUOQR-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.23
Rot. Bonds5

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

methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate (PubChem CID 43735149) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate
PubChem CID43735149
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Namemethyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate
SMILESCOC(=O)c1ccc(F)cc1NCc1ccccc1OC
InChIInChI=1S/C16H16FNO3/c1-20-15-6-4-3-5-11(15)10-18-14-9-12(17)7-8-13(14)16(19)21-2/h3-9,18H,10H2,1-2H3
InChIKeyUCACRYIUJDUOQR-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
methyl 2-[(2-bromo-5-fluorophenyl)methylamino]benzoate
CID 71747092
methyl 2-[(2-bromo-5-fluoroanilino)methyl]benzoate
CID 107632975
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid
CID 43737081
methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate
CID 71747269
methyl 2-[(3,4-difluorophenyl)methylamino]-4-fluorobenzoate
CID 43735155
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
methyl 4-fluoro-2-(1H-pyrrol-3-ylmethylamino)benzoate
CID 66410051
methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate
CID 43735120
methyl 4-amino-3-[(2-methoxyphenyl)methylamino]benzoate
CID 82775514
1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone
CID 82535518

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate?
The IUPAC name of methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate (CID 43735149) is methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate.
What is the SMILES notation for methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate?
The canonical SMILES for methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate is COC(=O)c1ccc(F)cc1NCc1ccccc1OC.
What is the InChIKey of methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate?
The InChIKey is UCACRYIUJDUOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-20-15-6-4-3-5-11(15)10-18-14-9-12(17)7-8-13(14)16(19)21-2/h3-9,18H,10H2,1-2H3.
What are the key properties of methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate?
methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate has a molecular weight of 289.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate is sourced from PubChem (CID 43735149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).