2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid

C23H15ClFNO5 — CID 70984965

IUPAC2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2ccc(NC(=O)c3cc4cc(F)ccc4o3)cc2)c(Cl)c1
InChIInChI=1S/C23H15ClFNO5/c24-18-9-13(10-22(27)28)1-7-20(18)30-17-5-3-16(4-6-17)26-23(29)21-12-14-11-15(25)2-8-19(14)31-21/h1-9,11-12H,10H2,(H,26,29)(H,27,28)
InChIKeyTWOCXILCAACYOM-UHFFFAOYSA-N
MW439.83 g/mol
LogP5.90
Rot. Bonds6

About 2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid

2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid (PubChem CID 70984965) has the molecular formula C23H15ClFNO5 and a molecular weight of 439.83 g/mol. Its IUPAC name is 2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid
PubChem CID70984965
Molecular FormulaC23H15ClFNO5
Molecular Weight439.83 g/mol
Exact Mass439.06
IUPAC Name2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2ccc(NC(=O)c3cc4cc(F)ccc4o3)cc2)c(Cl)c1
InChIInChI=1S/C23H15ClFNO5/c24-18-9-13(10-22(27)28)1-7-20(18)30-17-5-3-16(4-6-17)26-23(29)21-12-14-11-15(25)2-8-19(14)31-21/h1-9,11-12H,10H2,(H,26,29)(H,27,28)
InChIKeyTWOCXILCAACYOM-UHFFFAOYSA-N
XLogP5.90
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.83
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-chloro-4-[[5-[(5-fluoro-1-benzofuran-2-carbonyl)amino]-2-pyridinyl]oxy]phenyl]acetic acid
CID 70985190
ethyl 2-[4-[4-[(5-bromo-1-benzofuran-2-carbonyl)amino]phenoxy]-3-chlorophenyl]acetate
CID 70985035
N-(4-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxamide
CID 78843309
2-[3-chloro-4-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenoxy]phenyl]acetic acid
CID 70985116
2-[3-chloro-4-[4-[(6-chloro-1H-benzimidazole-2-carbonyl)amino]phenoxy]phenyl]acetic acid
CID 143840471
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
ethyl 2-[3-chloro-4-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetate
CID 70985006
N-(3-chloro-4-methoxyphenyl)-6-fluoro-1-oxoisochromene-3-carboxamide
CID 172905498
2-[3-chloro-4-[4-[(4-phenylpiperidine-1-carbonyl)amino]phenoxy]phenyl]acetic acid
CID 70984942
5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 78843203
2-[4-[4-[(3-chlorobenzoyl)amino]phenoxy]-3-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]acetic acid
CID 59403222
ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate
CID 70984916

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid (CID 70984965) is 2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid is O=C(O)Cc1ccc(Oc2ccc(NC(=O)c3cc4cc(F)ccc4o3)cc2)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid?
The InChIKey is TWOCXILCAACYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFNO5/c24-18-9-13(10-22(27)28)1-7-20(18)30-17-5-3-16(4-6-17)26-23(29)21-12-14-11-15(25)2-8-19(14)31-21/h1-9,11-12H,10H2,(H,26,29)(H,27,28).
What are the key properties of 2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid?
2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid has a molecular weight of 439.83 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[4-[(5-fluoro-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetic acid is sourced from PubChem (CID 70984965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).