methyl 4-anilino-2-(trifluoromethyl)benzoate

C15H12F3NO2 — CID 165389025

IUPACmethyl 4-anilino-2-(trifluoromethyl)benzoate
SMILESCOC(=O)c1ccc(Nc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C15H12F3NO2/c1-21-14(20)12-8-7-11(9-13(12)15(16,17)18)19-10-5-3-2-4-6-10/h2-9,19H,1H3
InChIKeySLSUANLWHRRTDQ-UHFFFAOYSA-N
MW295.26 g/mol
LogP4.24
Rot. Bonds3

About methyl 4-anilino-2-(trifluoromethyl)benzoate

methyl 4-anilino-2-(trifluoromethyl)benzoate (PubChem CID 165389025) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is methyl 4-anilino-2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-anilino-2-(trifluoromethyl)benzoate
PubChem CID165389025
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Namemethyl 4-anilino-2-(trifluoromethyl)benzoate
SMILESCOC(=O)c1ccc(Nc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C15H12F3NO2/c1-21-14(20)12-8-7-11(9-13(12)15(16,17)18)19-10-5-3-2-4-6-10/h2-9,19H,1H3
InChIKeySLSUANLWHRRTDQ-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(carbamothioylamino)-2-(trifluoromethyl)benzoate
CID 169356881
methyl 2-(trifluoromethyl)benzoate
CID 2775578
methane;methyl 4-anilinobenzoate
CID 160948347
methyl 2-(1,1,2,2,2-pentafluoroethyl)benzoate
CID 14007750
methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate
CID 171032673
methyl 2-[1,1,1,3,3,3-hexafluoro-2-(2-methoxycarbonylphenyl)propan-2-yl]benzoate
CID 139743551
methyl 4-(2-oxo-4,5-diphenyl-5,6-dihydro-1H-pyrimidin-6-yl)-2-(trifluoromethyl)benzoate
CID 123864217
4-hydroxy-2-(trifluoromethyl)benzoic acid;methyl 4-hydroxy-2-(trifluoromethyl)benzoate;methyl 2-(trifluoromethyl)-4-(trifluoromethylsulfonyloxy)benzoate
CID 158621391
ethane;methyl 4-piperidin-4-yl-2-(trifluoromethyl)benzoate
CID 170758523
methyl 5-anilino-2-phenylthiophene-3-carboxylate
CID 132562659
4-(4-methylanilino)-2-(trifluoromethyl)benzenecarbothioamide
CID 43320804
methyl 2-[[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoate
CID 19146267

Frequently Asked Questions

What is the IUPAC name of methyl 4-anilino-2-(trifluoromethyl)benzoate?
The IUPAC name of methyl 4-anilino-2-(trifluoromethyl)benzoate (CID 165389025) is methyl 4-anilino-2-(trifluoromethyl)benzoate.
What is the SMILES notation for methyl 4-anilino-2-(trifluoromethyl)benzoate?
The canonical SMILES for methyl 4-anilino-2-(trifluoromethyl)benzoate is COC(=O)c1ccc(Nc2ccccc2)cc1C(F)(F)F.
What is the InChIKey of methyl 4-anilino-2-(trifluoromethyl)benzoate?
The InChIKey is SLSUANLWHRRTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-21-14(20)12-8-7-11(9-13(12)15(16,17)18)19-10-5-3-2-4-6-10/h2-9,19H,1H3.
What are the key properties of methyl 4-anilino-2-(trifluoromethyl)benzoate?
methyl 4-anilino-2-(trifluoromethyl)benzoate has a molecular weight of 295.26 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-anilino-2-(trifluoromethyl)benzoate is sourced from PubChem (CID 165389025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).