N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide

C15H11Cl2NO3 — CID 82881373

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H11Cl2NO3/c16-12-4-11(5-13(17)14(12)19)18-15(20)8-1-2-9-6-21-7-10(9)3-8/h1-5,19H,6-7H2,(H,18,20)
InChIKeyRZLVDHAUMYLNTB-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.98
Rot. Bonds2

About N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide

N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 82881373) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID82881373
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2c(c1)COC2
InChIInChI=1S/C15H11Cl2NO3/c16-12-4-11(5-13(17)14(12)19)18-15(20)8-1-2-9-6-21-7-10(9)3-8/h1-5,19H,6-7H2,(H,18,20)
InChIKeyRZLVDHAUMYLNTB-UHFFFAOYSA-N
XLogP3.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
N-(3-fluoro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 64782580
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 5119664
N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797826
N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63733677
5-(1,3-dihydro-2-benzofuran-5-carbonylamino)pyridine-3-carboxylic acid
CID 63733480
4-(chloromethyl)-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 107679537
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 2994955
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 82885015
N-(2-chloroethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63744532
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805246

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 82881373) is N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2c(c1)COC2.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is RZLVDHAUMYLNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-12-4-11(5-13(17)14(12)19)18-15(20)8-1-2-9-6-21-7-10(9)3-8/h1-5,19H,6-7H2,(H,18,20).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 324.16 g/mol, XLogP of 3.98, 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-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 82881373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).