2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide

C11H15F2N3O2 — CID 114129004

IUPAC2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide
SMILESNC(=O)c1cccc(NCCOCC(F)F)c1N
InChIInChI=1S/C11H15F2N3O2/c12-9(13)6-18-5-4-16-8-3-1-2-7(10(8)14)11(15)17/h1-3,9,16H,4-6,14H2,(H2,15,17)
InChIKeyMOUGVFHEOSGFSR-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.06
Rot. Bonds7

About 2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide

2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide (PubChem CID 114129004) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide.

Molecular Properties

Compound Name2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide
PubChem CID114129004
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide
SMILESNC(=O)c1cccc(NCCOCC(F)F)c1N
InChIInChI=1S/C11H15F2N3O2/c12-9(13)6-18-5-4-16-8-3-1-2-7(10(8)14)11(15)17/h1-3,9,16H,4-6,14H2,(H2,15,17)
InChIKeyMOUGVFHEOSGFSR-UHFFFAOYSA-N
XLogP1.06
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]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

2-amino-3-(2-methylsulfonylethylamino)benzamide
CID 115544080
2-amino-3-(4-propan-2-yloxybutylamino)benzamide
CID 114137384
5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114128998
2-amino-3-(2-cyclopropylethylamino)benzamide
CID 115546423
2-[2-(2-amino-3-fluoroanilino)ethoxy]acetamide
CID 106234436
2-amino-3-(3-methylsulfonylpropylamino)benzamide
CID 115545630
2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide
CID 115545852
5-bromo-2-[2-(2,2-difluoroethoxy)ethylamino]benzenecarbothioamide
CID 114127801
2-amino-3-(cyclobutylmethylamino)benzamide
CID 115544780
2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide
CID 114126621
2-[2-(2-amino-3-methylanilino)ethoxy]acetamide
CID 106234418
2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 115546016

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide?
The IUPAC name of 2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide (CID 114129004) is 2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide.
What is the SMILES notation for 2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide?
The canonical SMILES for 2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide is NC(=O)c1cccc(NCCOCC(F)F)c1N.
What is the InChIKey of 2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide?
The InChIKey is MOUGVFHEOSGFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c12-9(13)6-18-5-4-16-8-3-1-2-7(10(8)14)11(15)17/h1-3,9,16H,4-6,14H2,(H2,15,17).
What are the key properties of 2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide?
2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide has a molecular weight of 259.26 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide is sourced from PubChem (CID 114129004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).