(5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate

C15H13BrFNO3 — CID 104784155

IUPAC(5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate
SMILESCOc1cc(N)ccc1C(=O)OCc1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO3/c1-20-14-7-11(18)3-4-12(14)15(19)21-8-9-6-10(16)2-5-13(9)17/h2-7H,8,18H2,1H3
InChIKeyAJMXANUGFWYNMQ-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.54
Rot. Bonds4

About (5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate

(5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate (PubChem CID 104784155) has the molecular formula C15H13BrFNO3 and a molecular weight of 354.18 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate
PubChem CID104784155
Molecular FormulaC15H13BrFNO3
Molecular Weight354.18 g/mol
Exact Mass353.01
IUPAC Name(5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate
SMILESCOc1cc(N)ccc1C(=O)OCc1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO3/c1-20-14-7-11(18)3-4-12(14)15(19)21-8-9-6-10(16)2-5-13(9)17/h2-7H,8,18H2,1H3
InChIKeyAJMXANUGFWYNMQ-UHFFFAOYSA-N
XLogP3.54
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate
CID 61321831
(2-bromophenyl)methyl 4-amino-2-methoxybenzoate
CID 82832102
(5-bromo-2-fluorophenyl)methyl 3-amino-5-methoxybenzoate
CID 81094852
(4-fluorophenyl)methyl 4-amino-2-methoxybenzoate
CID 104783988
(5-bromo-2-methoxyphenyl)methyl 2-amino-5-chlorobenzoate
CID 63450456
(3-bromothiophen-2-yl)methyl 4-amino-2-methoxybenzoate
CID 104784067
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78978251
1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone
CID 102948055
(2-fluoro-4-methoxyphenyl)methyl 2,4-diaminobenzoate
CID 102878337
1-[4-[(5-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 28530286
(5-fluoro-2-methylphenyl)methyl 5-amino-2-fluorobenzoate
CID 105374630
(5-bromo-2-fluorophenyl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 61316831

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate?
The IUPAC name of (5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate (CID 104784155) is (5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate.
What is the SMILES notation for (5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate?
The canonical SMILES for (5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate is COc1cc(N)ccc1C(=O)OCc1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate?
The InChIKey is AJMXANUGFWYNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3/c1-20-14-7-11(18)3-4-12(14)15(19)21-8-9-6-10(16)2-5-13(9)17/h2-7H,8,18H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate?
(5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate has a molecular weight of 354.18 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate is sourced from PubChem (CID 104784155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).