3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide

C13H8Cl2F2N2O — CID 83076280

IUPAC3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2c(Cl)cc(F)cc2Cl)ccc1F
InChIInChI=1S/C13H8Cl2F2N2O/c14-8-4-7(16)5-9(15)12(8)19-13(20)6-1-2-10(17)11(18)3-6/h1-5H,18H2,(H,19,20)
InChIKeyVDGPITGUAFVFQB-UHFFFAOYSA-N
MW317.12 g/mol
LogP4.11
Rot. Bonds2

About 3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide

3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide (PubChem CID 83076280) has the molecular formula C13H8Cl2F2N2O and a molecular weight of 317.12 g/mol. Its IUPAC name is 3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide
PubChem CID83076280
Molecular FormulaC13H8Cl2F2N2O
Molecular Weight317.12 g/mol
Exact Mass316.00
IUPAC Name3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide
SMILESNc1cc(C(=O)Nc2c(Cl)cc(F)cc2Cl)ccc1F
InChIInChI=1S/C13H8Cl2F2N2O/c14-8-4-7(16)5-9(15)12(8)19-13(20)6-1-2-10(17)11(18)3-6/h1-5H,18H2,(H,19,20)
InChIKeyVDGPITGUAFVFQB-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-4-fluoro-N-(2,4,6-trichlorophenyl)benzamide
CID 43436994
3-amino-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83081298
4-amino-N-(2,6-dichloro-4-fluorophenyl)-3-hydroxybenzamide
CID 107075861
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide
CID 83077757
3-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725727
N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 83074778
N-(2-amino-4,6-difluorophenyl)-4-bromo-3-chlorobenzamide
CID 81313689
3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
CID 60861863
3-bromo-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 103878381
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-3-sulfanylbenzamide
CID 107617505
3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 62814302

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide?
The IUPAC name of 3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide (CID 83076280) is 3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide is Nc1cc(C(=O)Nc2c(Cl)cc(F)cc2Cl)ccc1F.
What is the InChIKey of 3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide?
The InChIKey is VDGPITGUAFVFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N2O/c14-8-4-7(16)5-9(15)12(8)19-13(20)6-1-2-10(17)11(18)3-6/h1-5H,18H2,(H,19,20).
What are the key properties of 3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide?
3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide 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-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide is sourced from PubChem (CID 83076280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).