2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid

C14H11ClFNO3 — CID 107882860

IUPAC2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
SMILESNc1cccc(OCc2ccc(Cl)c(F)c2)c1C(=O)O
InChIInChI=1S/C14H11ClFNO3/c15-9-5-4-8(6-10(9)16)7-20-12-3-1-2-11(17)13(12)14(18)19/h1-6H,7,17H2,(H,18,19)
InChIKeyUMGCQMNNPHSXID-UHFFFAOYSA-N
MW295.70 g/mol
LogP3.34
Rot. Bonds4

About 2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid

2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid (PubChem CID 107882860) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
PubChem CID107882860
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
SMILESNc1cccc(OCc2ccc(Cl)c(F)c2)c1C(=O)O
InChIInChI=1S/C14H11ClFNO3/c15-9-5-4-8(6-10(9)16)7-20-12-3-1-2-11(17)13(12)14(18)19/h1-6H,7,17H2,(H,18,19)
InChIKeyUMGCQMNNPHSXID-UHFFFAOYSA-N
XLogP3.34
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 53.34
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-amino-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107341591
2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide
CID 107881174
3-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878154
(4-chloro-3-fluorophenyl)methyl 3-amino-2-chlorobenzoate
CID 107885824
methyl 4-amino-3-[(4-chloro-3-fluorophenyl)methoxy]benzoate
CID 107882843
4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine
CID 107878057
2-fluoro-6-[(4-fluorophenyl)methoxy]benzoic acid
CID 104651324
2-amino-6-[(4-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107341632
methyl 2-amino-6-[(4-chlorophenyl)methoxy]benzoate
CID 107341908
2-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
2-amino-6-[(4-cyano-2-fluorophenyl)methoxy]benzoic acid
CID 107341578
2-amino-6-(1,3-thiazol-2-ylmethoxy)benzoic acid
CID 107341512

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid?
The IUPAC name of 2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid (CID 107882860) is 2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid?
The canonical SMILES for 2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid is Nc1cccc(OCc2ccc(Cl)c(F)c2)c1C(=O)O.
What is the InChIKey of 2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid?
The InChIKey is UMGCQMNNPHSXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c15-9-5-4-8(6-10(9)16)7-20-12-3-1-2-11(17)13(12)14(18)19/h1-6H,7,17H2,(H,18,19).
What are the key properties of 2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid?
2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid has a molecular weight of 295.70 g/mol, XLogP of 3.34, 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-chloro-3-fluorophenyl)methoxy]benzoic acid is sourced from PubChem (CID 107882860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).