methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate

C21H18FNO2 — CID 134537275

IUPACmethyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(CNc2ccccc2F)cc1
InChIInChI=1S/C21H18FNO2/c1-25-21(24)18-7-3-2-6-17(18)16-12-10-15(11-13-16)14-23-20-9-5-4-8-19(20)22/h2-13,23H,14H2,1H3
InChIKeyFEGJIIPUGXQWNZ-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.89
Rot. Bonds5

About methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate

methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate (PubChem CID 134537275) has the molecular formula C21H18FNO2 and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate
PubChem CID134537275
Molecular FormulaC21H18FNO2
Molecular Weight335.38 g/mol
Exact Mass335.13
IUPAC Namemethyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate
SMILESCOC(=O)c1ccccc1-c1ccc(CNc2ccccc2F)cc1
InChIInChI=1S/C21H18FNO2/c1-25-21(24)18-7-3-2-6-17(18)16-12-10-15(11-13-16)14-23-20-9-5-4-8-19(20)22/h2-13,23H,14H2,1H3
InChIKeyFEGJIIPUGXQWNZ-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-[[2-(thiophene-2-carbonylamino)anilino]methyl]phenyl]benzoate
CID 10456034
4-[(2-methoxycarbonylanilino)methyl]benzoic acid
CID 65348011
methyl 2-fluoro-4-[(2-methylanilino)methyl]benzoate
CID 106699598
methyl 4-[(2-fluoroanilino)methyl]thiophene-2-carboxylate
CID 118135551
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923
4-[(2-fluoroanilino)methyl]-N-methylbenzamide
CID 54888541
methyl 2-[4-(phenylsulfanylmethyl)phenyl]benzoate
CID 141275398
methyl 4-[(2-bromoanilino)methyl]-2-fluorobenzoate
CID 106699571
methyl 2-[4-[[[3-[(2-methylsulfonylacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 10456579
methyl 2-[4-[(2S)-2-bromo-2-[4-(2-methoxycarbonylphenyl)phenyl]ethyl]phenyl]benzoate
CID 98076714
[2-(2-fluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229246
methyl 3-[(3-fluoro-4-methylphenyl)methylamino]-2-methylbenzoate
CID 63644529

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate?
The IUPAC name of methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate (CID 134537275) is methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate.
What is the SMILES notation for methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate?
The canonical SMILES for methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate is COC(=O)c1ccccc1-c1ccc(CNc2ccccc2F)cc1.
What is the InChIKey of methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate?
The InChIKey is FEGJIIPUGXQWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO2/c1-25-21(24)18-7-3-2-6-17(18)16-12-10-15(11-13-16)14-23-20-9-5-4-8-19(20)22/h2-13,23H,14H2,1H3.
What are the key properties of methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate?
methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate has a molecular weight of 335.38 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-fluoroanilino)methyl]phenyl]benzoate is sourced from PubChem (CID 134537275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).