2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide

C13H7Cl2F3N2O — CID 83077757

IUPAC2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide
SMILESNc1cc(F)c(F)cc1C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H7Cl2F3N2O/c14-7-1-5(16)2-8(15)12(7)20-13(21)6-3-9(17)10(18)4-11(6)19/h1-4H,19H2,(H,20,21)
InChIKeyAISJIQCSQPLROY-UHFFFAOYSA-N
MW335.11 g/mol
LogP4.25
Rot. Bonds2

About 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide

2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide (PubChem CID 83077757) has the molecular formula C13H7Cl2F3N2O and a molecular weight of 335.11 g/mol. Its IUPAC name is 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide
PubChem CID83077757
Molecular FormulaC13H7Cl2F3N2O
Molecular Weight335.11 g/mol
Exact Mass333.99
IUPAC Name2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide
SMILESNc1cc(F)c(F)cc1C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C13H7Cl2F3N2O/c14-7-1-5(16)2-8(15)12(7)20-13(21)6-3-9(17)10(18)4-11(6)19/h1-4H,19H2,(H,20,21)
InChIKeyAISJIQCSQPLROY-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.11
LogP ≤ 54.25
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

2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide
CID 83076619
3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 115930651
5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide
CID 83074413
2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide
CID 66251998
3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 83076280
5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83080978
3-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 115930652
3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide
CID 107120471
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
2-amino-N-(5-bromo-2-chlorophenyl)-4,5-difluorobenzamide
CID 62913368
2-amino-4,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 62810133
2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 83078029

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide?
The IUPAC name of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide (CID 83077757) is 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide.
What is the SMILES notation for 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide?
The canonical SMILES for 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide is Nc1cc(F)c(F)cc1C(=O)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide?
The InChIKey is AISJIQCSQPLROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3N2O/c14-7-1-5(16)2-8(15)12(7)20-13(21)6-3-9(17)10(18)4-11(6)19/h1-4H,19H2,(H,20,21).
What are the key properties of 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide?
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide has a molecular weight of 335.11 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide is sourced from PubChem (CID 83077757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).