2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid

C14H11BrFNO3 — CID 83215251

IUPAC2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid
SMILESNc1c(F)ccc(OCc2ccc(Br)cc2)c1C(=O)O
InChIInChI=1S/C14H11BrFNO3/c15-9-3-1-8(2-4-9)7-20-11-6-5-10(16)13(17)12(11)14(18)19/h1-6H,7,17H2,(H,18,19)
InChIKeyGCHRGYZBAVEYGE-UHFFFAOYSA-N
MW340.15 g/mol
LogP3.45
Rot. Bonds4

About 2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid

2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid (PubChem CID 83215251) has the molecular formula C14H11BrFNO3 and a molecular weight of 340.15 g/mol. Its IUPAC name is 2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid
PubChem CID83215251
Molecular FormulaC14H11BrFNO3
Molecular Weight340.15 g/mol
Exact Mass338.99
IUPAC Name2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid
SMILESNc1c(F)ccc(OCc2ccc(Br)cc2)c1C(=O)O
InChIInChI=1S/C14H11BrFNO3/c15-9-3-1-8(2-4-9)7-20-11-6-5-10(16)13(17)12(11)14(18)19/h1-6H,7,17H2,(H,18,19)
InChIKeyGCHRGYZBAVEYGE-UHFFFAOYSA-N
XLogP3.45
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-fluoro-3-phenylmethoxybenzoic acid
CID 155293763
2-amino-3-[(4-bromophenyl)methoxy]benzoic acid
CID 82831410
2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
2-amino-3-fluoro-6-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 83214753
(4-bromophenyl)methyl hydrogen carbonate
CID 21123816
4-[(5-bromo-2-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698528
5-amino-2-[(3-bromo-4-fluorophenyl)methoxy]benzoic acid
CID 43379961
2-amino-3-fluoro-6-(4-methylpentan-2-yloxy)benzoic acid
CID 83215718
2-amino-6-(2-ethoxyphenoxy)-3-fluorobenzoic acid
CID 83206714
4-[(4-bromo-2-cyanophenoxy)methyl]-2-fluorobenzoic acid
CID 106698497
5-bromo-2-[(3,4-difluorophenyl)methoxy]aniline
CID 82918529
4-[(2,4-dibromophenoxy)methyl]benzoic acid
CID 43235934

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid?
The IUPAC name of 2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid (CID 83215251) is 2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid.
What is the SMILES notation for 2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid?
The canonical SMILES for 2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid is Nc1c(F)ccc(OCc2ccc(Br)cc2)c1C(=O)O.
What is the InChIKey of 2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid?
The InChIKey is GCHRGYZBAVEYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3/c15-9-3-1-8(2-4-9)7-20-11-6-5-10(16)13(17)12(11)14(18)19/h1-6H,7,17H2,(H,18,19).
What are the key properties of 2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid?
2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid has a molecular weight of 340.15 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(4-bromophenyl)methoxy]-3-fluorobenzoic acid is sourced from PubChem (CID 83215251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).