methyl 2-amino-5-(2-fluorophenyl)benzoate

C14H12FNO2 — CID 82572889

IUPACmethyl 2-amino-5-(2-fluorophenyl)benzoate
SMILESCOC(=O)c1cc(-c2ccccc2F)ccc1N
InChIInChI=1S/C14H12FNO2/c1-18-14(17)11-8-9(6-7-13(11)16)10-4-2-3-5-12(10)15/h2-8H,16H2,1H3
InChIKeyXSGICGHUNPZCRN-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.86
Rot. Bonds2

About methyl 2-amino-5-(2-fluorophenyl)benzoate

methyl 2-amino-5-(2-fluorophenyl)benzoate (PubChem CID 82572889) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is methyl 2-amino-5-(2-fluorophenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(2-fluorophenyl)benzoate
PubChem CID82572889
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Namemethyl 2-amino-5-(2-fluorophenyl)benzoate
SMILESCOC(=O)c1cc(-c2ccccc2F)ccc1N
InChIInChI=1S/C14H12FNO2/c1-18-14(17)11-8-9(6-7-13(11)16)10-4-2-3-5-12(10)15/h2-8H,16H2,1H3
InChIKeyXSGICGHUNPZCRN-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 2-chloro-4-(2-fluorophenyl)benzoate
CID 75488279
2-amino-5-phenylbenzoic acid;methyl 2-amino-5-phenylbenzoate
CID 159000318
methyl 5-(2,3-difluorophenyl)-2-fluorobenzoate
CID 134635149
methyl 2-(3-fluoro-4-methylphenyl)benzoate
CID 15129923
methyl 2-amino-5-(2,3,4-trimethoxyphenyl)benzoate
CID 82572924
tert-butyl 5-(2-fluorophenyl)-2-hydroxybenzoate
CID 174729954
4-(2-fluorophenyl)phthalic acid
CID 71119653
methyl 2,4-diamino-5-fluorobenzoate
CID 171030778
methyl 2-bromo-5-(2-methylphenyl)benzoate
CID 170794913
methyl 2-amino-5-(3,4-difluoroanilino)benzoate
CID 61307073
methyl 2-amino-4-(3-chloro-4-fluorophenyl)-5-methylbenzoate
CID 164541567
methyl 2-fluoro-5-(2-oxo-1H-pyridin-3-yl)benzoate
CID 53218107

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(2-fluorophenyl)benzoate?
The IUPAC name of methyl 2-amino-5-(2-fluorophenyl)benzoate (CID 82572889) is methyl 2-amino-5-(2-fluorophenyl)benzoate.
What is the SMILES notation for methyl 2-amino-5-(2-fluorophenyl)benzoate?
The canonical SMILES for methyl 2-amino-5-(2-fluorophenyl)benzoate is COC(=O)c1cc(-c2ccccc2F)ccc1N.
What is the InChIKey of methyl 2-amino-5-(2-fluorophenyl)benzoate?
The InChIKey is XSGICGHUNPZCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-18-14(17)11-8-9(6-7-13(11)16)10-4-2-3-5-12(10)15/h2-8H,16H2,1H3.
What are the key properties of methyl 2-amino-5-(2-fluorophenyl)benzoate?
methyl 2-amino-5-(2-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 2-amino-5-(2-fluorophenyl)benzoate is sourced from PubChem (CID 82572889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).