2-fluoro-5-(3-methoxyanilino)benzoic acid

C14H12FNO3 — CID 82537034

IUPAC2-fluoro-5-(3-methoxyanilino)benzoic acid
SMILESCOc1cccc(Nc2ccc(F)c(C(=O)O)c2)c1
InChIInChI=1S/C14H12FNO3/c1-19-11-4-2-3-9(7-11)16-10-5-6-13(15)12(8-10)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyPXKOICHIVIFWHD-UHFFFAOYSA-N
MW261.25 g/mol
LogP3.28
Rot. Bonds4

About 2-fluoro-5-(3-methoxyanilino)benzoic acid

2-fluoro-5-(3-methoxyanilino)benzoic acid (PubChem CID 82537034) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-fluoro-5-(3-methoxyanilino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(3-methoxyanilino)benzoic acid
PubChem CID82537034
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name2-fluoro-5-(3-methoxyanilino)benzoic acid
SMILESCOc1cccc(Nc2ccc(F)c(C(=O)O)c2)c1
InChIInChI=1S/C14H12FNO3/c1-19-11-4-2-3-9(7-11)16-10-5-6-13(15)12(8-10)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyPXKOICHIVIFWHD-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-(2-methoxyanilino)benzoic acid
CID 82537069
2-fluoro-5-(pyridin-3-ylamino)benzoic acid
CID 82537495
2-amino-5-(3-methoxyanilino)benzamide
CID 61307103
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone
CID 82535316
5-(3,4-difluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199817
5-[4-(dimethylamino)anilino]-2-fluorobenzoic acid
CID 82536536
4-fluoro-N-[5-(3-methoxyanilino)-2-pyridinyl]-1H-pyrazole-5-carboxamide
CID 154793582
3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide
CID 112987423
2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
CID 60993011
2-fluoro-4-[(3-methoxybenzoyl)amino]benzoic acid
CID 103791449
6-(3-methoxyanilino)-1,3-benzodioxole-5-carboxylic acid
CID 15645729

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(3-methoxyanilino)benzoic acid?
The IUPAC name of 2-fluoro-5-(3-methoxyanilino)benzoic acid (CID 82537034) is 2-fluoro-5-(3-methoxyanilino)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(3-methoxyanilino)benzoic acid?
The canonical SMILES for 2-fluoro-5-(3-methoxyanilino)benzoic acid is COc1cccc(Nc2ccc(F)c(C(=O)O)c2)c1.
What is the InChIKey of 2-fluoro-5-(3-methoxyanilino)benzoic acid?
The InChIKey is PXKOICHIVIFWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-19-11-4-2-3-9(7-11)16-10-5-6-13(15)12(8-10)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 2-fluoro-5-(3-methoxyanilino)benzoic acid?
2-fluoro-5-(3-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-(3-methoxyanilino)benzoic acid is sourced from PubChem (CID 82537034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).