N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide

C18H15NO3 — CID 831035

IUPACN-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C18H15NO3/c1-13-4-8-15(9-5-13)22-16-10-6-14(7-11-16)19-18(20)17-3-2-12-21-17/h2-12H,1H3,(H,19,20)
InChIKeyQYHRJRXWWACCON-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.63
Rot. Bonds4

About N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide

N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide (PubChem CID 831035) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide
PubChem CID831035
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C18H15NO3/c1-13-4-8-15(9-5-13)22-16-10-6-14(7-11-16)19-18(20)17-3-2-12-21-17/h2-12H,1H3,(H,19,20)
InChIKeyQYHRJRXWWACCON-UHFFFAOYSA-N
XLogP4.63
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide (CID 831035) is N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide is Cc1ccc(Oc2ccc(NC(=O)c3ccco3)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide?
The InChIKey is QYHRJRXWWACCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-13-4-8-15(9-5-13)22-16-10-6-14(7-11-16)19-18(20)17-3-2-12-21-17/h2-12H,1H3,(H,19,20).
What are the key properties of N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide?
N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 831035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).