3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide

C10H10F4N2O — CID 107121456

IUPAC3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide
SMILESCN(CC(F)F)C(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C10H10F4N2O/c1-16(4-8(12)13)10(17)6-2-5(11)3-7(15)9(6)14/h2-3,8H,4,15H2,1H3
InChIKeyBLGAWEZGLSKCAC-UHFFFAOYSA-N
MW250.19 g/mol
LogP1.88
Rot. Bonds3

About 3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide

3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide (PubChem CID 107121456) has the molecular formula C10H10F4N2O and a molecular weight of 250.19 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide
PubChem CID107121456
Molecular FormulaC10H10F4N2O
Molecular Weight250.19 g/mol
Exact Mass250.07
IUPAC Name3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide
SMILESCN(CC(F)F)C(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C10H10F4N2O/c1-16(4-8(12)13)10(17)6-2-5(11)3-7(15)9(6)14/h2-3,8H,4,15H2,1H3
InChIKeyBLGAWEZGLSKCAC-UHFFFAOYSA-N
XLogP1.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107121238
3-amino-2,5-difluoro-N-methyl-N-pentylbenzamide
CID 107120492
3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 107120734
6-amino-N-(2,2-difluoroethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 103543443
3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 107120689
3-amino-N-(1-cyclopropylethyl)-2,5-difluoro-N-methylbenzamide
CID 107120546
3-amino-2,5-difluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 107120715
3-amino-2,5-difluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 107120541
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoro-N-methylbenzamide
CID 107121074
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide
CID 107120916
5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120626074
3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide
CID 107120608

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide (CID 107121456) is 3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide is CN(CC(F)F)C(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide?
The InChIKey is BLGAWEZGLSKCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O/c1-16(4-8(12)13)10(17)6-2-5(11)3-7(15)9(6)14/h2-3,8H,4,15H2,1H3.
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide?
3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide has a molecular weight of 250.19 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide is sourced from PubChem (CID 107121456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).