2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid

C15H13F2NO3 — CID 43737081

IUPAC2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid
SMILESCOc1ccccc1CNc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C15H13F2NO3/c1-21-14-5-3-2-4-9(14)8-18-13-6-10(15(19)20)11(16)7-12(13)17/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyOPMFDHYBFBSVJJ-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.28
Rot. Bonds5

About 2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid

2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid (PubChem CID 43737081) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is 2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid
PubChem CID43737081
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid
SMILESCOc1ccccc1CNc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C15H13F2NO3/c1-21-14-5-3-2-4-9(14)8-18-13-6-10(15(19)20)11(16)7-12(13)17/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyOPMFDHYBFBSVJJ-UHFFFAOYSA-N
XLogP3.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid
CID 62648491
1-[4-fluoro-3-[(2-methoxyphenyl)methylamino]phenyl]ethanone
CID 82535518
3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid
CID 63183498
2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
CID 107258624
methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate
CID 43735149
2-[(2-methoxyphenyl)methylamino]-4-phenoxy-5-sulfamoylbenzoic acid
CID 21487306
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
2,4-difluoro-5-[(3-methylphenyl)methylamino]benzoic acid
CID 43737084
5-(ethylamino)-2,4-difluorobenzoic acid
CID 43737186
3-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methoxybenzoic acid
CID 17059187
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid?
The IUPAC name of 2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid (CID 43737081) is 2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid.
What is the SMILES notation for 2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid?
The canonical SMILES for 2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid is COc1ccccc1CNc1cc(C(=O)O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid?
The InChIKey is OPMFDHYBFBSVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c1-21-14-5-3-2-4-9(14)8-18-13-6-10(15(19)20)11(16)7-12(13)17/h2-7,18H,8H2,1H3,(H,19,20).
What are the key properties of 2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid?
2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid has a molecular weight of 293.27 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid is sourced from PubChem (CID 43737081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).