methyl 4-(3-fluoroanilino)benzoate

C14H12FNO2 — CID 67974249

IUPACmethyl 4-(3-fluoroanilino)benzoate
SMILESCOC(=O)c1ccc(Nc2cccc(F)c2)cc1
InChIInChI=1S/C14H12FNO2/c1-18-14(17)10-5-7-12(8-6-10)16-13-4-2-3-11(15)9-13/h2-9,16H,1H3
InChIKeyTUMKTYGWUSTSIN-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.36
Rot. Bonds3

About methyl 4-(3-fluoroanilino)benzoate

methyl 4-(3-fluoroanilino)benzoate (PubChem CID 67974249) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is methyl 4-(3-fluoroanilino)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-fluoroanilino)benzoate
PubChem CID67974249
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Namemethyl 4-(3-fluoroanilino)benzoate
SMILESCOC(=O)c1ccc(Nc2cccc(F)c2)cc1
InChIInChI=1S/C14H12FNO2/c1-18-14(17)10-5-7-12(8-6-10)16-13-4-2-3-11(15)9-13/h2-9,16H,1H3
InChIKeyTUMKTYGWUSTSIN-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
methane;methyl 4-anilinobenzoate
CID 160948347
methyl 4-[[4-[(3-fluorophenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151109
methyl 3-fluorobenzoate
CID 521184
[2-(3-fluoroanilino)-2-oxoethyl]-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9250680
3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934
3-fluoro-N-phenylaniline
CID 2774466
3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide
CID 112987423
methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 7834630
methyl 3-[[6-(4-methoxycarbonylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878840
methyl 5-fluoro-2-(3-fluoroanilino)pyridine-3-carboxylate
CID 90092866

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-fluoroanilino)benzoate?
The IUPAC name of methyl 4-(3-fluoroanilino)benzoate (CID 67974249) is methyl 4-(3-fluoroanilino)benzoate.
What is the SMILES notation for methyl 4-(3-fluoroanilino)benzoate?
The canonical SMILES for methyl 4-(3-fluoroanilino)benzoate is COC(=O)c1ccc(Nc2cccc(F)c2)cc1.
What is the InChIKey of methyl 4-(3-fluoroanilino)benzoate?
The InChIKey is TUMKTYGWUSTSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-18-14(17)10-5-7-12(8-6-10)16-13-4-2-3-11(15)9-13/h2-9,16H,1H3.
What are the key properties of methyl 4-(3-fluoroanilino)benzoate?
methyl 4-(3-fluoroanilino)benzoate has a molecular weight of 245.25 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-fluoroanilino)benzoate is sourced from PubChem (CID 67974249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).