N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

C22H16ClNO4 — CID 19412834

IUPACN-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccc(COc2cccc3ccccc23)o1
InChIInChI=1S/C22H16ClNO4/c23-15-8-10-19(25)18(12-15)24-22(26)21-11-9-16(28-21)13-27-20-7-3-5-14-4-1-2-6-17(14)20/h1-12,25H,13H2,(H,24,26)
InChIKeyVNAJHSCHLFJEAJ-UHFFFAOYSA-N
MW393.83 g/mol
LogP5.62
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (PubChem CID 19412834) has the molecular formula C22H16ClNO4 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
PubChem CID19412834
Molecular FormulaC22H16ClNO4
Molecular Weight393.83 g/mol
Exact Mass393.08
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccc(COc2cccc3ccccc23)o1
InChIInChI=1S/C22H16ClNO4/c23-15-8-10-19(25)18(12-15)24-22(26)21-11-9-16(28-21)13-27-20-7-3-5-14-4-1-2-6-17(14)20/h1-12,25H,13H2,(H,24,26)
InChIKeyVNAJHSCHLFJEAJ-UHFFFAOYSA-N
XLogP5.62
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.83
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19459751
N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413042
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19283666
methyl 4-[[5-[(5-chloro-2-hydroxyphenyl)carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448963
5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide
CID 19412894
N-(2,4-dichlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 51781977
5-[(2,5-dichlorophenoxy)methyl]-N-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1269599
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984
5-(naphthalen-1-yloxymethyl)furan-2-carboxylate
CID 3596350
1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid
CID 19405995
N-[(4-fluorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412826
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19457390

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (CID 19412834) is N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is O=C(Nc1cc(Cl)ccc1O)c1ccc(COc2cccc3ccccc23)o1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
The InChIKey is VNAJHSCHLFJEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO4/c23-15-8-10-19(25)18(12-15)24-22(26)21-11-9-16(28-21)13-27-20-7-3-5-14-4-1-2-6-17(14)20/h1-12,25H,13H2,(H,24,26).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19412834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).