5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide

C13H7ClF4N2O — CID 83074413

IUPAC5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide
SMILESNc1cc(C(=O)Nc2c(F)cc(F)cc2Cl)c(F)cc1F
InChIInChI=1S/C13H7ClF4N2O/c14-7-1-5(15)2-10(18)12(7)20-13(21)6-3-11(19)9(17)4-8(6)16/h1-4H,19H2,(H,20,21)
InChIKeyZNHHOWHWAXZTRG-UHFFFAOYSA-N
MW318.66 g/mol
LogP3.73
Rot. Bonds2

About 5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide

5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide (PubChem CID 83074413) has the molecular formula C13H7ClF4N2O and a molecular weight of 318.66 g/mol. Its IUPAC name is 5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide
PubChem CID83074413
Molecular FormulaC13H7ClF4N2O
Molecular Weight318.66 g/mol
Exact Mass318.02
IUPAC Name5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide
SMILESNc1cc(C(=O)Nc2c(F)cc(F)cc2Cl)c(F)cc1F
InChIInChI=1S/C13H7ClF4N2O/c14-7-1-5(15)2-10(18)12(7)20-13(21)6-3-11(19)9(17)4-8(6)16/h1-4H,19H2,(H,20,21)
InChIKeyZNHHOWHWAXZTRG-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.66
LogP ≤ 53.73
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

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
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide
CID 83077757
3-amino-4-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83081298
N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
CID 82890016
2-amino-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzamide
CID 83081775
5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 62815588
N-(2-chloro-4,6-difluorophenyl)-2-fluoro-4-methoxybenzamide
CID 103878387
5-amino-N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 61112671
3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 83076280
3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 115930651
2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide
CID 83076619

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide?
The IUPAC name of 5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide (CID 83074413) is 5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide.
What is the SMILES notation for 5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide?
The canonical SMILES for 5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide is Nc1cc(C(=O)Nc2c(F)cc(F)cc2Cl)c(F)cc1F.
What is the InChIKey of 5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide?
The InChIKey is ZNHHOWHWAXZTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4N2O/c14-7-1-5(15)2-10(18)12(7)20-13(21)6-3-11(19)9(17)4-8(6)16/h1-4H,19H2,(H,20,21).
What are the key properties of 5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide?
5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide has a molecular weight of 318.66 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chloro-4,6-difluorophenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 83074413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).