3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide

C23H15ClF2N2O4 — CID 169235044

IUPAC3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide
SMILESNC(=O)c1cc2occ(C(=O)Nc3ccc(OCc4ccc(F)cc4Cl)cc3)c2cc1F
InChIInChI=1S/C23H15ClF2N2O4/c24-19-7-13(25)2-1-12(19)10-31-15-5-3-14(4-6-15)28-23(30)18-11-32-21-9-17(22(27)29)20(26)8-16(18)21/h1-9,11H,10H2,(H2,27,29)(H,28,30)
InChIKeyMRMXHXPOPHQDFW-UHFFFAOYSA-N
MW456.83 g/mol
LogP5.29
Rot. Bonds6

About 3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide

3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide (PubChem CID 169235044) has the molecular formula C23H15ClF2N2O4 and a molecular weight of 456.83 g/mol. Its IUPAC name is 3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide.

Molecular Properties

Compound Name3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide
PubChem CID169235044
Molecular FormulaC23H15ClF2N2O4
Molecular Weight456.83 g/mol
Exact Mass456.07
IUPAC Name3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide
SMILESNC(=O)c1cc2occ(C(=O)Nc3ccc(OCc4ccc(F)cc4Cl)cc3)c2cc1F
InChIInChI=1S/C23H15ClF2N2O4/c24-19-7-13(25)2-1-12(19)10-31-15-5-3-14(4-6-15)28-23(30)18-11-32-21-9-17(22(27)29)20(26)8-16(18)21/h1-9,11H,10H2,(H2,27,29)(H,28,30)
InChIKeyMRMXHXPOPHQDFW-UHFFFAOYSA-N
XLogP5.29
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.83
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-6-[(Z)-N'-hydroxycarbamimidoyl]-1-benzofuran-3-carboxamide
CID 169235040
[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 168535210
N-[3-aminosulfanyl-4-[(4-fluorophenoxy)methyl]phenyl]-2-(2-chloro-4-fluorophenyl)acetamide
CID 167200778
2,4-difluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17178097
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087
2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168592699
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
2-[(2,4-dichlorophenyl)methoxy]-N-(4-sulfamoylphenyl)benzamide
CID 2123312
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241
N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 132591174
1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene
CID 43141547

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide?
The IUPAC name of 3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide (CID 169235044) is 3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide.
What is the SMILES notation for 3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide?
The canonical SMILES for 3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide is NC(=O)c1cc2occ(C(=O)Nc3ccc(OCc4ccc(F)cc4Cl)cc3)c2cc1F.
What is the InChIKey of 3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide?
The InChIKey is MRMXHXPOPHQDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF2N2O4/c24-19-7-13(25)2-1-12(19)10-31-15-5-3-14(4-6-15)28-23(30)18-11-32-21-9-17(22(27)29)20(26)8-16(18)21/h1-9,11H,10H2,(H2,27,29)(H,28,30).
What are the key properties of 3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide?
3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide has a molecular weight of 456.83 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-5-fluoro-1-benzofuran-3,6-dicarboxamide is sourced from PubChem (CID 169235044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).