2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid

C28H24FNO3 — CID 58629332

IUPAC2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)Nc1cccc(-c2ccc(OCc3ccccc3F)cc2)c1
InChIInChI=1S/C28H24FNO3/c29-26-12-5-4-9-23(26)19-33-25-15-13-21(14-16-25)22-10-6-11-24(18-22)30-27(28(31)32)17-20-7-2-1-3-8-20/h1-16,18,27,30H,17,19H2,(H,31,32)
InChIKeyRIZABSCKIGTJSV-UHFFFAOYSA-N
MW441.50 g/mol
LogP6.18
Rot. Bonds9

About 2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid

2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid (PubChem CID 58629332) has the molecular formula C28H24FNO3 and a molecular weight of 441.50 g/mol. Its IUPAC name is 2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid
PubChem CID58629332
Molecular FormulaC28H24FNO3
Molecular Weight441.50 g/mol
Exact Mass441.17
IUPAC Name2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)Nc1cccc(-c2ccc(OCc3ccccc3F)cc2)c1
InChIInChI=1S/C28H24FNO3/c29-26-12-5-4-9-23(26)19-33-25-15-13-21(14-16-25)22-10-6-11-24(18-22)30-27(28(31)32)17-20-7-2-1-3-8-20/h1-16,18,27,30H,17,19H2,(H,31,32)
InChIKeyRIZABSCKIGTJSV-UHFFFAOYSA-N
XLogP6.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.50
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[6-[4-[(2-fluorophenyl)methoxy]phenyl]pyrimidin-4-yl]amino]-3-phenylpropanoic acid
CID 58629333
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoic acid
CID 170882474
2-(3-bromoanilino)-3-phenylpropanoic acid
CID 54890868
(2S)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-methylbutanoic acid
CID 99124267
1-[5-[3-[4-[(2-fluorophenyl)methoxy]phenyl]phenyl]thiophen-2-yl]ethanone
CID 123821866
(2S)-2-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 99124287
(2S)-2-[(2-iodoacetyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 58683370
2-amino-N-[3-[(2-fluorophenyl)methoxy]phenyl]acetamide
CID 39373055
2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]-3-(4-phenylphenyl)propanoic acid
CID 58677474
(2S)-2-anilino-3-[4-[3-[(phenacylamino)methyl]phenyl]phenyl]propanoic acid
CID 141088901
2-[[3-[(2-fluorophenyl)methyl]-5-phenylpyrazin-2-yl]amino]-3-(3-methoxyphenyl)propanoic acid
CID 135364505
3-[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]propanoic acid
CID 54768351

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid?
The IUPAC name of 2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid (CID 58629332) is 2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)Nc1cccc(-c2ccc(OCc3ccccc3F)cc2)c1.
What is the InChIKey of 2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid?
The InChIKey is RIZABSCKIGTJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNO3/c29-26-12-5-4-9-23(26)19-33-25-15-13-21(14-16-25)22-10-6-11-24(18-22)30-27(28(31)32)17-20-7-2-1-3-8-20/h1-16,18,27,30H,17,19H2,(H,31,32).
What are the key properties of 2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid?
2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid has a molecular weight of 441.50 g/mol, XLogP of 6.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(2-fluorophenyl)methoxy]phenyl]anilino]-3-phenylpropanoic acid is sourced from PubChem (CID 58629332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).