2-fluoro-5-(2-methoxyanilino)benzoic acid

C14H12FNO3 — CID 82537069

IUPAC2-fluoro-5-(2-methoxyanilino)benzoic acid
SMILESCOc1ccccc1Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H12FNO3/c1-19-13-5-3-2-4-12(13)16-9-6-7-11(15)10(8-9)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyZUBOZTFXDFCYBM-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.28
Rot. Bonds4

About 2-fluoro-5-(2-methoxyanilino)benzoic acid

2-fluoro-5-(2-methoxyanilino)benzoic acid (PubChem CID 82537069) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-fluoro-5-(2-methoxyanilino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(2-methoxyanilino)benzoic acid
PubChem CID82537069
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name2-fluoro-5-(2-methoxyanilino)benzoic acid
SMILESCOc1ccccc1Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H12FNO3/c1-19-13-5-3-2-4-12(13)16-9-6-7-11(15)10(8-9)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyZUBOZTFXDFCYBM-UHFFFAOYSA-N
XLogP3.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-(3-methoxyanilino)benzoic acid
CID 82537034
5-(2-chloroanilino)-2-fluorobenzoic acid
CID 82536969
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 19024304
2-methoxy-N-phenylaniline
CID 10910514
3-(2-methoxyanilino)phenol
CID 82537348
5-[4-(dimethylamino)anilino]-2-fluorobenzoic acid
CID 82536536
N-(2-anilinophenyl)-2-(2-methoxyanilino)benzamide
CID 23906809
N-[4-(2-methoxyanilino)phenyl]-2-phenoxyacetamide
CID 112987353
3,4-difluoro-N-(5-fluoro-2-methoxyphenyl)aniline
CID 82536880
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109269495
1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
CID 114837261

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methoxyanilino)benzoic acid?
The IUPAC name of 2-fluoro-5-(2-methoxyanilino)benzoic acid (CID 82537069) is 2-fluoro-5-(2-methoxyanilino)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(2-methoxyanilino)benzoic acid?
The canonical SMILES for 2-fluoro-5-(2-methoxyanilino)benzoic acid is COc1ccccc1Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-(2-methoxyanilino)benzoic acid?
The InChIKey is ZUBOZTFXDFCYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-19-13-5-3-2-4-12(13)16-9-6-7-11(15)10(8-9)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 2-fluoro-5-(2-methoxyanilino)benzoic acid?
2-fluoro-5-(2-methoxyanilino)benzoic acid has a molecular weight of 261.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-methoxyanilino)benzoic acid is sourced from PubChem (CID 82537069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).