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

C11H14ClF2N3O2 — CID 114128998

IUPAC5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCOCC(F)F
InChIInChI=1S/C11H14ClF2N3O2/c12-8-4-6(15)3-7(11(16)18)10(8)17-1-2-19-5-9(13)14/h3-4,9,17H,1-2,5,15H2,(H2,16,18)
InChIKeyZESORNPVQZKELL-UHFFFAOYSA-N
MW293.70 g/mol
LogP1.71
Rot. Bonds7

About 5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide

5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide (PubChem CID 114128998) has the molecular formula C11H14ClF2N3O2 and a molecular weight of 293.70 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide
PubChem CID114128998
Molecular FormulaC11H14ClF2N3O2
Molecular Weight293.70 g/mol
Exact Mass293.07
IUPAC Name5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCOCC(F)F
InChIInChI=1S/C11H14ClF2N3O2/c12-8-4-6(15)3-7(11(16)18)10(8)17-1-2-19-5-9(13)14/h3-4,9,17H,1-2,5,15H2,(H2,16,18)
InChIKeyZESORNPVQZKELL-UHFFFAOYSA-N
XLogP1.71
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 51.71
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'}

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Related Compounds

5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide
CID 107196857
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
CID 107192487
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
CID 107194123
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
CID 107196156
2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114129004
5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide
CID 107194939
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159
5-amino-3-chloro-2-(3-phenylpropylamino)benzamide
CID 107194330
5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide
CID 107196630
5-amino-3-chloro-2-(2-ethoxypropylamino)benzamide
CID 107196713
5-amino-3-chloro-2-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 107195763

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide (CID 114128998) is 5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide is NC(=O)c1cc(N)cc(Cl)c1NCCOCC(F)F.
What is the InChIKey of 5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide?
The InChIKey is ZESORNPVQZKELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N3O2/c12-8-4-6(15)3-7(11(16)18)10(8)17-1-2-19-5-9(13)14/h3-4,9,17H,1-2,5,15H2,(H2,16,18).
What are the key properties of 5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide?
5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide has a molecular weight of 293.70 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide is sourced from PubChem (CID 114128998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).