N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

C18H13ClFNO4 — CID 19413042

IUPACN-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C18H13ClFNO4/c19-11-1-7-16(22)15(9-11)21-18(23)17-8-6-14(25-17)10-24-13-4-2-12(20)3-5-13/h1-9,22H,10H2,(H,21,23)
InChIKeyZPWHOWLHXHJUDS-UHFFFAOYSA-N
MW361.76 g/mol
LogP4.61
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 19413042) has the molecular formula C18H13ClFNO4 and a molecular weight of 361.76 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
PubChem CID19413042
Molecular FormulaC18H13ClFNO4
Molecular Weight361.76 g/mol
Exact Mass361.05
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C18H13ClFNO4/c19-11-1-7-16(22)15(9-11)21-18(23)17-8-6-14(25-17)10-24-13-4-2-12(20)3-5-13/h1-9,22H,10H2,(H,21,23)
InChIKeyZPWHOWLHXHJUDS-UHFFFAOYSA-N
XLogP4.61
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 54.61
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

methyl 4-[[5-[(5-chloro-2-hydroxyphenyl)carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448963
N-(5-chloro-2-hydroxyphenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19459751
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 35357364
N-(5-chloro-2-hydroxyphenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412834
N-(5-chloro-2-methylphenyl)-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19415875
N-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830642
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 26903055
N-(2-hydroxy-5-nitrophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446066
N-(2-benzoyl-4-chlorophenyl)-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19417251
N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19413479
N-(4-chloro-2-fluorophenyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 3242441

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (CID 19413042) is N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1cc(Cl)ccc1O)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is ZPWHOWLHXHJUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO4/c19-11-1-7-16(22)15(9-11)21-18(23)17-8-6-14(25-17)10-24-13-4-2-12(20)3-5-13/h1-9,22H,10H2,(H,21,23).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 361.76 g/mol, XLogP of 4.61, 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-[(4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19413042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).