4-amino-2-(2,2-difluoroethylamino)benzamide

C9H11F2N3O — CID 115405473

IUPAC4-amino-2-(2,2-difluoroethylamino)benzamide
SMILESNC(=O)c1ccc(N)cc1NCC(F)F
InChIInChI=1S/C9H11F2N3O/c10-8(11)4-14-7-3-5(12)1-2-6(7)9(13)15/h1-3,8,14H,4,12H2,(H2,13,15)
InChIKeyLRPLCGXEWILAEY-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.04
Rot. Bonds4

About 4-amino-2-(2,2-difluoroethylamino)benzamide

4-amino-2-(2,2-difluoroethylamino)benzamide (PubChem CID 115405473) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 4-amino-2-(2,2-difluoroethylamino)benzamide.

Molecular Properties

Compound Name4-amino-2-(2,2-difluoroethylamino)benzamide
PubChem CID115405473
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name4-amino-2-(2,2-difluoroethylamino)benzamide
SMILESNC(=O)c1ccc(N)cc1NCC(F)F
InChIInChI=1S/C9H11F2N3O/c10-8(11)4-14-7-3-5(12)1-2-6(7)9(13)15/h1-3,8,14H,4,12H2,(H2,13,15)
InChIKeyLRPLCGXEWILAEY-UHFFFAOYSA-N
XLogP1.04
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-2-(2,2-difluoroethylamino)benzamide 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

4-amino-2-[2-(carbamoylamino)ethylamino]benzamide
CID 83117175
4-amino-2-(6-hydroxyhexylamino)benzamide
CID 107844200
ethyl 5-amino-2-(2,2-difluoroethylamino)benzoate
CID 115408428
4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide
CID 113457683
4-amino-2-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81170408
4-amino-2-(4-methylsulfanylbutylamino)benzamide
CID 113487250
4-amino-2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]benzamide
CID 106095687
4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358089
4-amino-2-(2-methylpentan-2-ylamino)benzamide
CID 113471591
4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166574
4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 114183117
4-amino-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 80680908

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,2-difluoroethylamino)benzamide?
The IUPAC name of 4-amino-2-(2,2-difluoroethylamino)benzamide (CID 115405473) is 4-amino-2-(2,2-difluoroethylamino)benzamide.
What is the SMILES notation for 4-amino-2-(2,2-difluoroethylamino)benzamide?
The canonical SMILES for 4-amino-2-(2,2-difluoroethylamino)benzamide is NC(=O)c1ccc(N)cc1NCC(F)F.
What is the InChIKey of 4-amino-2-(2,2-difluoroethylamino)benzamide?
The InChIKey is LRPLCGXEWILAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-8(11)4-14-7-3-5(12)1-2-6(7)9(13)15/h1-3,8,14H,4,12H2,(H2,13,15).
What are the key properties of 4-amino-2-(2,2-difluoroethylamino)benzamide?
4-amino-2-(2,2-difluoroethylamino)benzamide has a molecular weight of 215.20 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,2-difluoroethylamino)benzamide is sourced from PubChem (CID 115405473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).