7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide

C15H10Cl2FNO3 — CID 11953072

IUPAC7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)C1Cc2cc(F)cc(-c3c(Cl)cc(O)cc3Cl)c2O1
InChIInChI=1S/C15H10Cl2FNO3/c16-10-4-8(20)5-11(17)13(10)9-3-7(18)1-6-2-12(15(19)21)22-14(6)9/h1,3-5,12,20H,2H2,(H2,19,21)
InChIKeyLUSXGNNIMPKOIC-UHFFFAOYSA-N
MW342.15 g/mol
LogP3.29
Rot. Bonds2

About 7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide

7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 11953072) has the molecular formula C15H10Cl2FNO3 and a molecular weight of 342.15 g/mol. Its IUPAC name is 7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID11953072
Molecular FormulaC15H10Cl2FNO3
Molecular Weight342.15 g/mol
Exact Mass341.00
IUPAC Name7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESNC(=O)C1Cc2cc(F)cc(-c3c(Cl)cc(O)cc3Cl)c2O1
InChIInChI=1S/C15H10Cl2FNO3/c16-10-4-8(20)5-11(17)13(10)9-3-7(18)1-6-2-12(15(19)21)22-14(6)9/h1,3-5,12,20H,2H2,(H2,19,21)
InChIKeyLUSXGNNIMPKOIC-UHFFFAOYSA-N
XLogP3.29
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(Aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]-3,5-dichlorophenol
CID 11953024
7-(2,6-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 11953070
7-(2,6-Dichlorophenyl)-5-fluoro-4-hydroxy-2,3-dihydro-1-benzofuran-2-carboxamide
CID 11953071
2-[3,5-Dichloro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]acetamide
CID 156405329
(2S)-2-[3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]methyl]phenoxy]propanamide
CID 176191199
2-[3,5-Dichloro-4-[[3-(4-chloro-3-fluorophenyl)-4-hydroxyphenyl]methyl]phenoxy]acetamide
CID 176191200
(2R)-2-[3,5-dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]methyl]phenoxy]propanamide
CID 176191205
2-[3,5-Dichloro-4-[[3-(3,4-difluorophenyl)-4-hydroxyphenyl]methyl]phenoxy]acetamide
CID 176191224
(2R)-2-[3,5-dichloro-4-[[3-(4-fluorophenyl)-4-hydroxyphenyl]methyl]phenoxy]propanamide
CID 176191241
2-[3,5-Dichloro-4-[[3-(3-chloro-4-fluorophenyl)-4-hydroxyphenyl]methyl]phenoxy]acetamide
CID 176191242
2-[3,5-Dichloro-4-[[4-hydroxy-3-(2,4,5-trifluorophenyl)phenyl]methyl]phenoxy]acetamide
CID 176191253
2-[3,5-Dichloro-4-[[3-(2,4-difluorophenyl)-4-hydroxyphenyl]methyl]phenoxy]acetamide
CID 176680374

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide (CID 11953072) is 7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide is NC(=O)C1Cc2cc(F)cc(-c3c(Cl)cc(O)cc3Cl)c2O1.
What is the InChIKey of 7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is LUSXGNNIMPKOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FNO3/c16-10-4-8(20)5-11(17)13(10)9-3-7(18)1-6-2-12(15(19)21)22-14(6)9/h1,3-5,12,20H,2H2,(H2,19,21).
What are the key properties of 7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide?
7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 342.15 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichloro-4-hydroxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 11953072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).