3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide

C12H14F2N2O — CID 79773809

IUPAC3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide
SMILESCC1(C)CC1NC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C12H14F2N2O/c1-12(2)5-8(12)16-11(17)9-6(13)3-4-7(15)10(9)14/h3-4,8H,5,15H2,1-2H3,(H,16,17)
InChIKeyLVNKOWOMZTWISQ-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.08
Rot. Bonds2

About 3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide

3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide (PubChem CID 79773809) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide
PubChem CID79773809
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide
SMILESCC1(C)CC1NC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C12H14F2N2O/c1-12(2)5-8(12)16-11(17)9-6(13)3-4-7(15)10(9)14/h3-4,8H,5,15H2,1-2H3,(H,16,17)
InChIKeyLVNKOWOMZTWISQ-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2,2-dimethylcyclopropyl)-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 3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide (CID 79773809) is 3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide is CC1(C)CC1NC(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide?
The InChIKey is LVNKOWOMZTWISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-12(2)5-8(12)16-11(17)9-6(13)3-4-7(15)10(9)14/h3-4,8H,5,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide?
3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide has a molecular weight of 240.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide is sourced from PubChem (CID 79773809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).