2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid

C24H22FNO4 — CID 24958314

IUPAC2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
SMILESCc1cccc(COc2ccc(C)c(C(=O)Nc3ccc(CC(=O)O)cc3F)c2)c1
InChIInChI=1S/C24H22FNO4/c1-15-4-3-5-18(10-15)14-30-19-8-6-16(2)20(13-19)24(29)26-22-9-7-17(11-21(22)25)12-23(27)28/h3-11,13H,12,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyFXXFJZMHASFBOF-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.90
Rot. Bonds7

About 2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid

2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid (PubChem CID 24958314) has the molecular formula C24H22FNO4 and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
PubChem CID24958314
Molecular FormulaC24H22FNO4
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Name2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
SMILESCc1cccc(COc2ccc(C)c(C(=O)Nc3ccc(CC(=O)O)cc3F)c2)c1
InChIInChI=1S/C24H22FNO4/c1-15-4-3-5-18(10-15)14-30-19-8-6-16(2)20(13-19)24(29)26-22-9-7-17(11-21(22)25)12-23(27)28/h3-11,13H,12,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyFXXFJZMHASFBOF-UHFFFAOYSA-N
XLogP4.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid (CID 24958314) is 2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid is Cc1cccc(COc2ccc(C)c(C(=O)Nc3ccc(CC(=O)O)cc3F)c2)c1.
What is the InChIKey of 2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
The InChIKey is FXXFJZMHASFBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO4/c1-15-4-3-5-18(10-15)14-30-19-8-6-16(2)20(13-19)24(29)26-22-9-7-17(11-21(22)25)12-23(27)28/h3-11,13H,12,14H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid has a molecular weight of 407.44 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[[2-methyl-5-[(3-methylphenyl)methoxy]benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 24958314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).