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

C13H8Cl2F2N2O — CID 79773214

IUPAC3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide
SMILESNc1ccc(F)c(C(=O)Nc2cccc(Cl)c2Cl)c1F
InChIInChI=1S/C13H8Cl2F2N2O/c14-6-2-1-3-9(11(6)15)19-13(20)10-7(16)4-5-8(18)12(10)17/h1-5H,18H2,(H,19,20)
InChIKeyRGRFVGJEQXYELF-UHFFFAOYSA-N
MW317.12 g/mol
LogP4.11
Rot. Bonds2

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

3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide (PubChem CID 79773214) has the molecular formula C13H8Cl2F2N2O and a molecular weight of 317.12 g/mol. Its IUPAC name is 3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide
PubChem CID79773214
Molecular FormulaC13H8Cl2F2N2O
Molecular Weight317.12 g/mol
Exact Mass316.00
IUPAC Name3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide
SMILESNc1ccc(F)c(C(=O)Nc2cccc(Cl)c2Cl)c1F
InChIInChI=1S/C13H8Cl2F2N2O/c14-6-2-1-3-9(11(6)15)19-13(20)10-7(16)4-5-8(18)12(10)17/h1-5H,18H2,(H,19,20)
InChIKeyRGRFVGJEQXYELF-UHFFFAOYSA-N
XLogP4.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.12
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724
2-amino-6-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 63660530
3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide
CID 79758086
2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 63660223
2-amino-N-(2,3-dichlorophenyl)-5-methylbenzamide
CID 62509307
N-(2,3-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
CID 110864422
N-(5-amino-2-chlorophenyl)-2,6-difluorobenzamide
CID 43548813
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512
2-amino-6-chloro-N-(3,4,5-trifluorophenyl)benzamide
CID 63658626
N'-(2,3-dichlorophenyl)-N-(3,4-difluorophenyl)oxamide
CID 108987778
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide (CID 79773214) is 3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide is Nc1ccc(F)c(C(=O)Nc2cccc(Cl)c2Cl)c1F.
What is the InChIKey of 3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide?
The InChIKey is RGRFVGJEQXYELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N2O/c14-6-2-1-3-9(11(6)15)19-13(20)10-7(16)4-5-8(18)12(10)17/h1-5H,18H2,(H,19,20).
What are the key properties of 3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide?
3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide has a molecular weight of 317.12 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dichlorophenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 79773214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).