methyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate

C16H16FNO2 — CID 43772733

IUPACmethyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate
SMILESCOC(=O)c1ccccc1CNc1cc(C)ccc1F
InChIInChI=1S/C16H16FNO2/c1-11-7-8-14(17)15(9-11)18-10-12-5-3-4-6-13(12)16(19)20-2/h3-9,18H,10H2,1-2H3
InChIKeyZJIKZPBOGKUYDH-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.53
Rot. Bonds4

About methyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate

methyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate (PubChem CID 43772733) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate
PubChem CID43772733
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Namemethyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate
SMILESCOC(=O)c1ccccc1CNc1cc(C)ccc1F
InChIInChI=1S/C16H16FNO2/c1-11-7-8-14(17)15(9-11)18-10-12-5-3-4-6-13(12)16(19)20-2/h3-9,18H,10H2,1-2H3
InChIKeyZJIKZPBOGKUYDH-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
methyl 2-[(4-fluoro-3-methylanilino)methyl]benzoate
CID 62810538
methyl 2-[(2-bromo-5-fluoroanilino)methyl]benzoate
CID 107632975
methyl 3-[(2,5-dimethylphenyl)methylamino]-4-fluorobenzoate
CID 60728602
methyl 2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841534
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
methyl 2-[[4-chloro-2-fluoro-5-(1,2,2-trifluoroethylsulfanyl)anilino]methyl]benzoate
CID 175533578
methyl 2-[(5-chloro-2-cyanoanilino)methyl]benzoate
CID 43780521
methyl 2-[(3-hydroxy-2,4-dimethylanilino)methyl]benzoate
CID 43790151
methyl 2-[(2-chloro-4,6-difluoroanilino)methyl]benzoate
CID 83074169
methyl 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]benzoate
CID 61299463
methyl 4-fluoro-3-[(2-hydroxy-3-methylphenyl)methylamino]benzoate
CID 115951164

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate?
The IUPAC name of methyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate (CID 43772733) is methyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate.
What is the SMILES notation for methyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate?
The canonical SMILES for methyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate is COC(=O)c1ccccc1CNc1cc(C)ccc1F.
What is the InChIKey of methyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate?
The InChIKey is ZJIKZPBOGKUYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-7-8-14(17)15(9-11)18-10-12-5-3-4-6-13(12)16(19)20-2/h3-9,18H,10H2,1-2H3.
What are the key properties of methyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate?
methyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate has a molecular weight of 273.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluoro-5-methylanilino)methyl]benzoate is sourced from PubChem (CID 43772733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).