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

C18H12N2O3 — CID 87012577

IUPACN-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide
SMILESN#Cc1ccccc1Oc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H12N2O3/c19-12-13-4-1-2-5-16(13)23-15-9-7-14(8-10-15)20-18(21)17-6-3-11-22-17/h1-11H,(H,20,21)
InChIKeyYPVFMLXHSKFOIJ-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.20
Rot. Bonds4

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

N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide (PubChem CID 87012577) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide
PubChem CID87012577
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC NameN-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide
SMILESN#Cc1ccccc1Oc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H12N2O3/c19-12-13-4-1-2-5-16(13)23-15-9-7-14(8-10-15)20-18(21)17-6-3-11-22-17/h1-11H,(H,20,21)
InChIKeyYPVFMLXHSKFOIJ-UHFFFAOYSA-N
XLogP4.20
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide (CID 87012577) is N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide is N#Cc1ccccc1Oc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide?
The InChIKey is YPVFMLXHSKFOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c19-12-13-4-1-2-5-16(13)23-15-9-7-14(8-10-15)20-18(21)17-6-3-11-22-17/h1-11H,(H,20,21).
What are the key properties of N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide?
N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 87012577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).