N-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide

C13H16F2N2O4 — CID 2798653

IUPACN-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide
SMILESCOC(OC)C(C)NC(=O)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O4/c1-7(12(20-2)21-3)16-13(19)17-11(18)10-8(14)5-4-6-9(10)15/h4-7,12H,1-3H3,(H2,16,17,18,19)
InChIKeyFJQWWIAGSUSEOO-UHFFFAOYSA-N
MW302.28 g/mol
LogP1.41
Rot. Bonds5

About N-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide

N-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide (PubChem CID 2798653) has the molecular formula C13H16F2N2O4 and a molecular weight of 302.28 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide
PubChem CID2798653
Molecular FormulaC13H16F2N2O4
Molecular Weight302.28 g/mol
Exact Mass302.11
IUPAC NameN-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide
SMILESCOC(OC)C(C)NC(=O)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C13H16F2N2O4/c1-7(12(20-2)21-3)16-13(19)17-11(18)10-8(14)5-4-6-9(10)15/h4-7,12H,1-3H3,(H2,16,17,18,19)
InChIKeyFJQWWIAGSUSEOO-UHFFFAOYSA-N
XLogP1.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide 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 N-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide?
The IUPAC name of N-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide (CID 2798653) is N-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide is COC(OC)C(C)NC(=O)NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide?
The InChIKey is FJQWWIAGSUSEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O4/c1-7(12(20-2)21-3)16-13(19)17-11(18)10-8(14)5-4-6-9(10)15/h4-7,12H,1-3H3,(H2,16,17,18,19).
What are the key properties of N-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide?
N-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide has a molecular weight of 302.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-ylcarbamoyl)-2,6-difluorobenzamide is sourced from PubChem (CID 2798653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).