2-fluoro-4-formyl-N,5-dimethylbenzamide

C10H10FNO2 — CID 90317155

IUPAC2-fluoro-4-formyl-N,5-dimethylbenzamide
SMILESCNC(=O)c1cc(C)c(C=O)cc1F
InChIInChI=1S/C10H10FNO2/c1-6-3-8(10(14)12-2)9(11)4-7(6)5-13/h3-5H,1-2H3,(H,12,14)
InChIKeyDHVYJDXSLYTDOP-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.31
Rot. Bonds2

About 2-fluoro-4-formyl-N,5-dimethylbenzamide

2-fluoro-4-formyl-N,5-dimethylbenzamide (PubChem CID 90317155) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-fluoro-4-formyl-N,5-dimethylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-formyl-N,5-dimethylbenzamide
PubChem CID90317155
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-fluoro-4-formyl-N,5-dimethylbenzamide
SMILESCNC(=O)c1cc(C)c(C=O)cc1F
InChIInChI=1S/C10H10FNO2/c1-6-3-8(10(14)12-2)9(11)4-7(6)5-13/h3-5H,1-2H3,(H,12,14)
InChIKeyDHVYJDXSLYTDOP-UHFFFAOYSA-N
XLogP1.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-formyl-N,5-dimethylbenzamide?
The IUPAC name of 2-fluoro-4-formyl-N,5-dimethylbenzamide (CID 90317155) is 2-fluoro-4-formyl-N,5-dimethylbenzamide.
What is the SMILES notation for 2-fluoro-4-formyl-N,5-dimethylbenzamide?
The canonical SMILES for 2-fluoro-4-formyl-N,5-dimethylbenzamide is CNC(=O)c1cc(C)c(C=O)cc1F.
What is the InChIKey of 2-fluoro-4-formyl-N,5-dimethylbenzamide?
The InChIKey is DHVYJDXSLYTDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-6-3-8(10(14)12-2)9(11)4-7(6)5-13/h3-5H,1-2H3,(H,12,14).
What are the key properties of 2-fluoro-4-formyl-N,5-dimethylbenzamide?
2-fluoro-4-formyl-N,5-dimethylbenzamide has a molecular weight of 195.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-formyl-N,5-dimethylbenzamide is sourced from PubChem (CID 90317155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).