5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide

C13H12ClNO3 — CID 82110591

IUPAC5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide
SMILESCC(Cl)c1ccc(C(=O)Nc2ccccc2O)o1
InChIInChI=1S/C13H12ClNO3/c1-8(14)11-6-7-12(18-11)13(17)15-9-4-2-3-5-10(9)16/h2-8,16H,1H3,(H,15,17)
InChIKeyVHJKIXHKMCFYQL-UHFFFAOYSA-N
MW265.70 g/mol
LogP3.54
Rot. Bonds3

About 5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide

5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide (PubChem CID 82110591) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide
PubChem CID82110591
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide
SMILESCC(Cl)c1ccc(C(=O)Nc2ccccc2O)o1
InChIInChI=1S/C13H12ClNO3/c1-8(14)11-6-7-12(18-11)13(17)15-9-4-2-3-5-10(9)16/h2-8,16H,1H3,(H,15,17)
InChIKeyVHJKIXHKMCFYQL-UHFFFAOYSA-N
XLogP3.54
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 82108737
5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 82109811
N-[2-(1-chloroethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 114304944
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
5-chloro-N-[2-(1-hydroxyethyl)phenyl]furan-2-carboxamide
CID 54963654
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 84578663
5-(1-adamantyl)-N-(2-hydroxyphenyl)furan-2-carboxamide
CID 100818175
5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 82110940
2-hydroxy-N-(2-hydroxyphenyl)propanamide
CID 83768320
N-(2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19459728
N-(2-ethylphenyl)-5-sulfamoylfuran-2-carboxamide
CID 47176444

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide (CID 82110591) is 5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide is CC(Cl)c1ccc(C(=O)Nc2ccccc2O)o1.
What is the InChIKey of 5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide?
The InChIKey is VHJKIXHKMCFYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-8(14)11-6-7-12(18-11)13(17)15-9-4-2-3-5-10(9)16/h2-8,16H,1H3,(H,15,17).
What are the key properties of 5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide?
5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 82110591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).