N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide

C17H11ClFNO3 — CID 134014960

IUPACN-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H11ClFNO3/c18-10-5-6-14(21)13(9-10)20-17(22)16-8-7-15(23-16)11-3-1-2-4-12(11)19/h1-9,21H,(H,20,22)
InChIKeyQHTXYXANSZOJRC-UHFFFAOYSA-N
MW331.73 g/mol
LogP4.70
Rot. Bonds3

About N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide

N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 134014960) has the molecular formula C17H11ClFNO3 and a molecular weight of 331.73 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
PubChem CID134014960
Molecular FormulaC17H11ClFNO3
Molecular Weight331.73 g/mol
Exact Mass331.04
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C17H11ClFNO3/c18-10-5-6-14(21)13(9-10)20-17(22)16-8-7-15(23-16)11-3-1-2-4-12(11)19/h1-9,21H,(H,20,22)
InChIKeyQHTXYXANSZOJRC-UHFFFAOYSA-N
XLogP4.70
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
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-(4-chloro-2-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 9404808
5-(2-fluorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
CID 17472963
N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 8011799
N-(4-acetamidophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 1251716
1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea
CID 9428356
N-(3-carbamoyl-4-fluorophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 46400813
5-(2-fluorophenyl)-N-[2-methyl-5-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 94836453
N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 3872686
N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 78799931
N-(2-ethoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 3462704
N-(5-acetamido-2-methoxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 17478266
5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide
CID 24564244

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide (CID 134014960) is N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide is O=C(Nc1cc(Cl)ccc1O)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is QHTXYXANSZOJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO3/c18-10-5-6-14(21)13(9-10)20-17(22)16-8-7-15(23-16)11-3-1-2-4-12(11)19/h1-9,21H,(H,20,22).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 331.73 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-5-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 134014960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).