5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide

C23H24ClNO4 — CID 19457465

IUPAC5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(COc2ccc(Cl)cc2C)o1
InChIInChI=1S/C23H24ClNO4/c1-13(2)18-11-19(14(3)10-20(18)26)25-23(27)22-8-6-17(29-22)12-28-21-7-5-16(24)9-15(21)4/h5-11,13,26H,12H2,1-4H3,(H,25,27)
InChIKeyXKYDCUREQFNTAF-UHFFFAOYSA-N
MW413.90 g/mol
LogP6.21
Rot. Bonds6

About 5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide

5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide (PubChem CID 19457465) has the molecular formula C23H24ClNO4 and a molecular weight of 413.90 g/mol. Its IUPAC name is 5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide
PubChem CID19457465
Molecular FormulaC23H24ClNO4
Molecular Weight413.90 g/mol
Exact Mass413.14
IUPAC Name5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(COc2ccc(Cl)cc2C)o1
InChIInChI=1S/C23H24ClNO4/c1-13(2)18-11-19(14(3)10-20(18)26)25-23(27)22-8-6-17(29-22)12-28-21-7-5-16(24)9-15(21)4/h5-11,13,26H,12H2,1-4H3,(H,25,27)
InChIKeyXKYDCUREQFNTAF-UHFFFAOYSA-N
XLogP6.21
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.90
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-chloro-2-methylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19457390
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 19457438
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19457516
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19457399
5-[(4-chloro-2-methylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393497
5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 19457564
N-(4-bromo-2-fluorophenyl)-5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19447013
N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55884416
N-(5-chloro-2-methylphenyl)-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19415875
5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 19457491
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19447024
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19447010

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide (CID 19457465) is 5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide is Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(COc2ccc(Cl)cc2C)o1.
What is the InChIKey of 5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide?
The InChIKey is XKYDCUREQFNTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO4/c1-13(2)18-11-19(14(3)10-20(18)26)25-23(27)22-8-6-17(29-22)12-28-21-7-5-16(24)9-15(21)4/h5-11,13,26H,12H2,1-4H3,(H,25,27).
What are the key properties of 5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide?
5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide has a molecular weight of 413.90 g/mol, XLogP of 6.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 19457465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).