4-[2-(5-formylfuran-2-yl)phenoxy]benzamide

C18H13NO4 — CID 169335395

IUPAC4-[2-(5-formylfuran-2-yl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccccc2-c2ccc(C=O)o2)cc1
InChIInChI=1S/C18H13NO4/c19-18(21)12-5-7-13(8-6-12)22-16-4-2-1-3-15(16)17-10-9-14(11-20)23-17/h1-11H,(H2,19,21)
InChIKeyKZQYYBSVDVKNLW-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.65
Rot. Bonds5

About 4-[2-(5-formylfuran-2-yl)phenoxy]benzamide

4-[2-(5-formylfuran-2-yl)phenoxy]benzamide (PubChem CID 169335395) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 4-[2-(5-formylfuran-2-yl)phenoxy]benzamide.

Molecular Properties

Compound Name4-[2-(5-formylfuran-2-yl)phenoxy]benzamide
PubChem CID169335395
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name4-[2-(5-formylfuran-2-yl)phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccccc2-c2ccc(C=O)o2)cc1
InChIInChI=1S/C18H13NO4/c19-18(21)12-5-7-13(8-6-12)22-16-4-2-1-3-15(16)17-10-9-14(11-20)23-17/h1-11H,(H2,19,21)
InChIKeyKZQYYBSVDVKNLW-UHFFFAOYSA-N
XLogP3.65
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(aminomethyl)phenoxy]benzamide
CID 28824744
4-[2-(hydroxymethyl)phenoxy]benzamide
CID 28946171
4-(2-cyanophenoxy)benzamide
CID 28825078
4-(4-carbamoylphenoxy)benzamide
CID 156597124
5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde
CID 169332268
4-[2-[(1R)-1-hydroxyethyl]phenoxy]benzamide
CID 55182876
2-oxopropyl 2-(5-formylfuran-2-yl)benzoate
CID 169334646
(E)-but-2-enedioic acid;4-phenoxybenzamide
CID 68593915
2-methylpropyl 2-(5-formylfuran-2-yl)benzoate
CID 169331925
2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
CID 169332033
2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide
CID 148883740
9-(4-aminophenoxy)tricyclo[6.3.1.02,7]dodeca-1(12),2,4,6,8,10-hexaen-12-amine;benzene-1,4-dicarboxamide
CID 67807071

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-formylfuran-2-yl)phenoxy]benzamide?
The IUPAC name of 4-[2-(5-formylfuran-2-yl)phenoxy]benzamide (CID 169335395) is 4-[2-(5-formylfuran-2-yl)phenoxy]benzamide.
What is the SMILES notation for 4-[2-(5-formylfuran-2-yl)phenoxy]benzamide?
The canonical SMILES for 4-[2-(5-formylfuran-2-yl)phenoxy]benzamide is NC(=O)c1ccc(Oc2ccccc2-c2ccc(C=O)o2)cc1.
What is the InChIKey of 4-[2-(5-formylfuran-2-yl)phenoxy]benzamide?
The InChIKey is KZQYYBSVDVKNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c19-18(21)12-5-7-13(8-6-12)22-16-4-2-1-3-15(16)17-10-9-14(11-20)23-17/h1-11H,(H2,19,21).
What are the key properties of 4-[2-(5-formylfuran-2-yl)phenoxy]benzamide?
4-[2-(5-formylfuran-2-yl)phenoxy]benzamide has a molecular weight of 307.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-formylfuran-2-yl)phenoxy]benzamide is sourced from PubChem (CID 169335395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).