methyl 4-amino-2-(4-fluorophenyl)benzoate

C14H12FNO2 — CID 18476027

IUPACmethyl 4-amino-2-(4-fluorophenyl)benzoate
SMILESCOC(=O)c1ccc(N)cc1-c1ccc(F)cc1
InChIInChI=1S/C14H12FNO2/c1-18-14(17)12-7-6-11(16)8-13(12)9-2-4-10(15)5-3-9/h2-8H,16H2,1H3
InChIKeyWWUSMOKMHQKSKL-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.86
Rot. Bonds2

About methyl 4-amino-2-(4-fluorophenyl)benzoate

methyl 4-amino-2-(4-fluorophenyl)benzoate (PubChem CID 18476027) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is methyl 4-amino-2-(4-fluorophenyl)benzoate.

Molecular Properties

Compound Namemethyl 4-amino-2-(4-fluorophenyl)benzoate
PubChem CID18476027
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Namemethyl 4-amino-2-(4-fluorophenyl)benzoate
SMILESCOC(=O)c1ccc(N)cc1-c1ccc(F)cc1
InChIInChI=1S/C14H12FNO2/c1-18-14(17)12-7-6-11(16)8-13(12)9-2-4-10(15)5-3-9/h2-8H,16H2,1H3
InChIKeyWWUSMOKMHQKSKL-UHFFFAOYSA-N
XLogP2.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-2-phenylbenzoate
CID 15406988
methyl 5-amino-2-(4-amino-2-methoxycarbonylphenyl)benzoate
CID 11109368
methyl 5-amino-2-(4-fluoro-2-methylanilino)benzoate
CID 61306561
methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66489830
methyl 4-amino-2-sulfanylbenzoate
CID 91874278
methyl 4-(2,5-difluorophenyl)-2-fluorobenzoate
CID 75488422
ethane;methyl 4-(5-amino-2-methylphenyl)benzoate
CID 142234774
ethane;methyl 2-amino-5-chloro-4-(4-fluorophenyl)-3-methylbenzoate
CID 156797704
methyl 2,4-dipyridin-4-ylbenzoate
CID 46317525
methyl 5-amino-2-(4-ethoxyphenyl)benzoate
CID 168665644
methyl 2-amino-5-(4-aminophenyl)-4-(trifluoromethyl)benzoate
CID 67976976
methyl 2-[(4-aminobenzoyl)amino]-4-fluorobenzoate
CID 43713810

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-(4-fluorophenyl)benzoate?
The IUPAC name of methyl 4-amino-2-(4-fluorophenyl)benzoate (CID 18476027) is methyl 4-amino-2-(4-fluorophenyl)benzoate.
What is the SMILES notation for methyl 4-amino-2-(4-fluorophenyl)benzoate?
The canonical SMILES for methyl 4-amino-2-(4-fluorophenyl)benzoate is COC(=O)c1ccc(N)cc1-c1ccc(F)cc1.
What is the InChIKey of methyl 4-amino-2-(4-fluorophenyl)benzoate?
The InChIKey is WWUSMOKMHQKSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-18-14(17)12-7-6-11(16)8-13(12)9-2-4-10(15)5-3-9/h2-8H,16H2,1H3.
What are the key properties of methyl 4-amino-2-(4-fluorophenyl)benzoate?
methyl 4-amino-2-(4-fluorophenyl)benzoate has a molecular weight of 245.25 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-(4-fluorophenyl)benzoate is sourced from PubChem (CID 18476027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).