N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide

C15H9Cl2NO3 — CID 103891115

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)c1cc2ccccc2o1
InChIInChI=1S/C15H9Cl2NO3/c16-9-6-10(17)14(19)11(7-9)18-15(20)13-5-8-3-1-2-4-12(8)21-13/h1-7,19H,(H,18,20)
InChIKeyZCCSKJWYMZGBPM-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.70
Rot. Bonds2

About N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide

N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 103891115) has the molecular formula C15H9Cl2NO3 and a molecular weight of 322.15 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID103891115
Molecular FormulaC15H9Cl2NO3
Molecular Weight322.15 g/mol
Exact Mass321.00
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)c1cc2ccccc2o1
InChIInChI=1S/C15H9Cl2NO3/c16-9-6-10(17)14(19)11(7-9)18-15(20)13-5-8-3-1-2-4-12(8)21-13/h1-7,19H,(H,18,20)
InChIKeyZCCSKJWYMZGBPM-UHFFFAOYSA-N
XLogP4.70
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022
N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1107583
N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7751403
N-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxybenzamide
CID 3067488
N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 7922537
N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24708217
N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
3,4-bis(1-benzofuran-2-carbonylamino)benzoic acid
CID 17296766
3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid
CID 75414482
N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide
CID 4905455
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 2670112

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide (CID 103891115) is N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1O)c1cc2ccccc2o1.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZCCSKJWYMZGBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO3/c16-9-6-10(17)14(19)11(7-9)18-15(20)13-5-8-3-1-2-4-12(8)21-13/h1-7,19H,(H,18,20).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide?
N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 322.15 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 103891115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).