3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide

C14H12FNO5 — CID 169335091

IUPAC3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide
SMILESCOc1cc(C(N)=O)c(-c2ccc(C=O)o2)c(F)c1OC
InChIInChI=1S/C14H12FNO5/c1-19-10-5-8(14(16)18)11(12(15)13(10)20-2)9-4-3-7(6-17)21-9/h3-6H,1-2H3,(H2,16,18)
InChIKeyHOCBQQIMXKZKIP-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.01
Rot. Bonds5

About 3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide

3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide (PubChem CID 169335091) has the molecular formula C14H12FNO5 and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide
PubChem CID169335091
Molecular FormulaC14H12FNO5
Molecular Weight293.25 g/mol
Exact Mass293.07
IUPAC Name3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide
SMILESCOc1cc(C(N)=O)c(-c2ccc(C=O)o2)c(F)c1OC
InChIInChI=1S/C14H12FNO5/c1-19-10-5-8(14(16)18)11(12(15)13(10)20-2)9-4-3-7(6-17)21-9/h3-6H,1-2H3,(H2,16,18)
InChIKeyHOCBQQIMXKZKIP-UHFFFAOYSA-N
XLogP2.01
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-formamido-4,5-dimethoxybenzamide
CID 168652260
methyl 3-fluoro-5-(5-formylfuran-2-yl)-4-methoxybenzoate
CID 169335186
2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid
CID 169335754
5-(5,6-dimethoxy-3-oxo-1H-2-benzofuran-4-yl)furan-2-carbaldehyde
CID 169334391
5-(3-fluoro-4-iodo-2-methoxyphenyl)furan-2-carbaldehyde
CID 169333694
ethane;ethyl 3-fluoro-4,5-dimethoxy-2-methylbenzoate
CID 178095802
methyl 1-(5-formylfuran-2-yl)naphthalene-2-carboxylate
CID 169335441
4-bromo-3-fluoro-5-methoxy-2-methylbenzamide
CID 87278963
5-(3-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169331838
3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 55353370
5-[2-fluoro-6-(3-methoxypropoxy)phenyl]furan-2-carbaldehyde
CID 169334187

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide?
The IUPAC name of 3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide (CID 169335091) is 3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide?
The canonical SMILES for 3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide is COc1cc(C(N)=O)c(-c2ccc(C=O)o2)c(F)c1OC.
What is the InChIKey of 3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide?
The InChIKey is HOCBQQIMXKZKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO5/c1-19-10-5-8(14(16)18)11(12(15)13(10)20-2)9-4-3-7(6-17)21-9/h3-6H,1-2H3,(H2,16,18).
What are the key properties of 3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide?
3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide has a molecular weight of 293.25 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide is sourced from PubChem (CID 169335091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).