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

C10H10FNO2 — CID 88794221

IUPAC5-fluoro-2-formyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(F)ccc1C=O
InChIInChI=1S/C10H10FNO2/c1-12(2)10(14)9-5-8(11)4-3-7(9)6-13/h3-6H,1-2H3
InChIKeyNCPGWDNJBCBLCY-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.34
Rot. Bonds2

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

5-fluoro-2-formyl-N,N-dimethylbenzamide (PubChem CID 88794221) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 5-fluoro-2-formyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-fluoro-2-formyl-N,N-dimethylbenzamide
PubChem CID88794221
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name5-fluoro-2-formyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(F)ccc1C=O
InChIInChI=1S/C10H10FNO2/c1-12(2)10(14)9-5-8(11)4-3-7(9)6-13/h3-6H,1-2H3
InChIKeyNCPGWDNJBCBLCY-UHFFFAOYSA-N
XLogP1.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-formyl-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-formyl-N,N-dimethylbenzamide?
The IUPAC name of 5-fluoro-2-formyl-N,N-dimethylbenzamide (CID 88794221) is 5-fluoro-2-formyl-N,N-dimethylbenzamide.
What is the SMILES notation for 5-fluoro-2-formyl-N,N-dimethylbenzamide?
The canonical SMILES for 5-fluoro-2-formyl-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(F)ccc1C=O.
What is the InChIKey of 5-fluoro-2-formyl-N,N-dimethylbenzamide?
The InChIKey is NCPGWDNJBCBLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-12(2)10(14)9-5-8(11)4-3-7(9)6-13/h3-6H,1-2H3.
What are the key properties of 5-fluoro-2-formyl-N,N-dimethylbenzamide?
5-fluoro-2-formyl-N,N-dimethylbenzamide has a molecular weight of 195.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-formyl-N,N-dimethylbenzamide is sourced from PubChem (CID 88794221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).