2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid

C13H8Cl2FNO2 — CID 165457099

IUPAC2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid
SMILESNc1cc(-c2cc(Cl)ccc2Cl)cc(F)c1C(=O)O
InChIInChI=1S/C13H8Cl2FNO2/c14-7-1-2-9(15)8(5-7)6-3-10(16)12(13(18)19)11(17)4-6/h1-5H,17H2,(H,18,19)
InChIKeyZEDJPFABDPPLEB-UHFFFAOYSA-N
MW300.12 g/mol
LogP4.08
Rot. Bonds2

About 2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid

2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid (PubChem CID 165457099) has the molecular formula C13H8Cl2FNO2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid
PubChem CID165457099
Molecular FormulaC13H8Cl2FNO2
Molecular Weight300.12 g/mol
Exact Mass298.99
IUPAC Name2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid
SMILESNc1cc(-c2cc(Cl)ccc2Cl)cc(F)c1C(=O)O
InChIInChI=1S/C13H8Cl2FNO2/c14-7-1-2-9(15)8(5-7)6-3-10(16)12(13(18)19)11(17)4-6/h1-5H,17H2,(H,18,19)
InChIKeyZEDJPFABDPPLEB-UHFFFAOYSA-N
XLogP4.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2,5-dichlorophenyl)-2,6-difluorobenzoate
CID 119013644
4-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211133
5-(2,5-dichlorophenyl)-2-fluorobenzoic acid
CID 53211132
4-(4-acetylphenyl)-2-amino-6-fluorobenzoic acid
CID 165451215
2-amino-6-fluoro-4-pyrimidin-2-ylbenzoic acid
CID 165451224
2-chloro-4-(2,5-dichlorophenyl)benzoic acid
CID 53227705
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
3-amino-2-chloro-6-fluorobenzoic acid
CID 66841192
4-(2,5-dichlorophenyl)-2-(trifluoromethyl)benzoic acid
CID 107333223
2,6-difluoro-4-(2-fluorophenyl)benzoic acid
CID 46312128
5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087222
(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 67505353

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid?
The IUPAC name of 2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid (CID 165457099) is 2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid.
What is the SMILES notation for 2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid?
The canonical SMILES for 2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid is Nc1cc(-c2cc(Cl)ccc2Cl)cc(F)c1C(=O)O.
What is the InChIKey of 2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid?
The InChIKey is ZEDJPFABDPPLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNO2/c14-7-1-2-9(15)8(5-7)6-3-10(16)12(13(18)19)11(17)4-6/h1-5H,17H2,(H,18,19).
What are the key properties of 2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid?
2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid has a molecular weight of 300.12 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,5-dichlorophenyl)-6-fluorobenzoic acid is sourced from PubChem (CID 165457099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).