2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide

C13H10FNO3 — CID 169332851

IUPAC2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2ccc(C=O)o2)ccc1F
InChIInChI=1S/C13H10FNO3/c1-15-13(17)10-6-8(2-4-11(10)14)12-5-3-9(7-16)18-12/h2-7H,1H3,(H,15,17)
InChIKeyUGRUZPAJQQZCPP-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.26
Rot. Bonds3

About 2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide

2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide (PubChem CID 169332851) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide
PubChem CID169332851
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2ccc(C=O)o2)ccc1F
InChIInChI=1S/C13H10FNO3/c1-15-13(17)10-6-8(2-4-11(10)14)12-5-3-9(7-16)18-12/h2-7H,1H3,(H,15,17)
InChIKeyUGRUZPAJQQZCPP-UHFFFAOYSA-N
XLogP2.26
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-(furan-2-yl)-N-methylbenzamide
CID 168525507
5-(5-formylfuran-2-yl)-N-methyl-1-benzothiophene-2-carboxamide
CID 169334216
2-fluoro-5-formyl-N-methylbenzamide
CID 131591850
2-(5-formylfuran-2-yl)-N,3-dimethylbenzamide
CID 169335277
5-[3-fluoro-4-(2-methoxyethoxy)phenyl]furan-2-carbaldehyde
CID 169334200
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976
2,4-dichloro-N-[[5-(5-formylfuran-2-yl)-2-methoxyphenyl]methyl]benzamide
CID 89092764
5-(4-ethoxy-3-fluorophenyl)furan-2-carbaldehyde
CID 169333423
N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide
CID 169334090
5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169334405
5-[3-fluoro-4-(2-methylpropoxy)phenyl]furan-2-carbaldehyde
CID 169334432
5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
CID 4674822

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide?
The IUPAC name of 2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide (CID 169332851) is 2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide?
The canonical SMILES for 2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide is CNC(=O)c1cc(-c2ccc(C=O)o2)ccc1F.
What is the InChIKey of 2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide?
The InChIKey is UGRUZPAJQQZCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-15-13(17)10-6-8(2-4-11(10)14)12-5-3-9(7-16)18-12/h2-7H,1H3,(H,15,17).
What are the key properties of 2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide?
2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide has a molecular weight of 247.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(5-formylfuran-2-yl)-N-methylbenzamide is sourced from PubChem (CID 169332851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).